A0A077Z161_TRITR Loading...

receptor protein-tyrosine kinase

AlphaFold DB , UniProt , Accession A0A077Z161, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,097 aa.

						>A0A077Z161_TRITR|A0A077Z161
MCYLALQFGWFMFFSLDLVTAPWKTCSPESHTCGTENGLNKLEVQEKKIDRLRLMYANCTIVHGNLEITYLNSADLDNTSLSTFNFFSGIEEVTGYVLIAHNSIHNFSLPRLRIIWGDKKFRPASGQNIGQFSLLVLNNAFEHLGLPELRVIHDGSIGVQLNRRMCHWKTLDYRQLLGDKYNSRLQLKDSHQDCNSPNDWSCDFSCTHCWGPEANECQEAYRDNCAPQCSSGMCFGKYNPQYCCHAECAAGCHGPSDRDCYGCRAMRDDGRCVDKCPTPELYDPVTTQYIKNPNGKYAFNRECVTVCPPHMVIYKDGCVSRCPEGYFAEVGSNVCEPCQGVCPKTCIIEHHVSSFNIKDFIGCTKVDGFIEIRKDTFEYGALFLANDSFVRYDPMSEEQLEALSSVRQVTHYVLIQSERLKSLSFLRNLEKIEGRKLFESSYALYITHSFSMQYLGTVSLRSILNGDVYIASNYDLCYIHNIPWGKRIISVGHSSRVRSNRKADVCELEGKVCDPSCDLSQGCWGPGPEMCFDCMHWRLGNSCVDECNADGLYRAAPKQCAYCHVECTKCTGAGPRNCTECKHVGLDGECVPSCPKYTHFENVLTRRCEKCHLNCYGYGCTGPGNFVGPGGCKRCKYGVLDEESQTITRCLQELSAEKPCSHDADLENYYWTVPLSRKIQKSVALAVCIKCHPVCRRCYGFGTDYAHYGCECLKYSLRESSNSTTCVLECPRNTYIATPLRENDAGECIPCDPQCNSCTGPESTDCLECLHYKDFITESDKFNCTSSCPEERPFVSQDRLCTDVDIMMEKHKKSQVIIGVVVAALVSLCILFFICLLFIRPKASLLAHFKEPNPKLEIVAEVTPNLARLLLIRDFELNRGGVLGYELKDIFVKMAKDPGRYLVVEGDALLRLPAYTPQDQREMIRQLIDDPEVVDPDEYFSAAPTSSPPVSPTMLRKPLIEDREARVSCCNQRHTSAVSQRYASDPLKNMPGLNTSKFSDSPTLTTDVENYLIPDSQQAPQGLSPCDDGVFMAYGSSGELPCCTGGHSYYNEFGKPNAGICLENLEYMQGSLSEQDYHNCMPKNLQMSDIVQNETVV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.8	Very low	35.2	Very low	225 Å²	225	172.7 Å²	172.7	100%	1.108	88%	0.875	S	S	*	*				0	103.3	0	-55.5	-64.6	-168.6	0	0	106.8
2	C	35.5	Very low	35.1	Very low	124 Å²	124	171.8 Å²	171.8	84%	0.838	87%	0.869	S	S	*	*			cis	-129	128.3	2.5	-54.4	0	0	0	0	106.1
3	Y	28	Very low	35.3	Very low	204 Å²	204	173.5 Å²	173.5	80%	0.8	87%	0.867	S	S	*	*			cis	65.7	110.1	35.5	-109	-96.4	0	0	0	114.7
4	L	34.1	Very low	35.2	Very low	161 Å²	161	175.3 Å²	175.3	84%	0.843	87%	0.868	S	S	*	*			trans	69.3	97.3	158.2	-66.3	164.2	0	0	0	120.4
5	A	38.2	Very low	35.2	Very low	93 Å²	93	171.1 Å²	171.1	77%	0.769	86%	0.862	S	S	*	*				-159.8	156.4	129	0	0	0	0	0	110.3
6	L	39.2	Very low	35.3	Very low	177 Å²	177	169.8 Å²	169.8	93%	0.927	86%	0.858	S	S	*	*			trans	76.5	57.2	169.9	-51.2	175.7	0	0	0	118.2
7	Q	34.5	Very low	35.2	Very low	173 Å²	173	169.3 Å²	169.3	81%	0.808	86%	0.858	S	S	*	*			trans	-87.9	141.5	134.2	-84.9	-172.4	-31	0	0	108.9
8	F	37.9	Very low	35.2	Very low	212 Å²	212	167.3 Å²	167.3	93%	0.93	85%	0.849	S	S	*	*			trans	160.2	125.7	131.9	-91.5	-66.5	0	0	0	110.5
9	G	33.9	Very low	35.1	Very low	72 Å²	72	165.9 Å²	165.9	74%	0.742	85%	0.849	S	S	*	*			trans	119	45.4	159.4	0	0	0	0	0	119.3
10	W	34.7	Very low	35	Very low	247 Å²	247	164.2 Å²	164.2	94%	0.936	85%	0.847	S	S	*	*			trans	-125.4	109.9	161.2	-93.5	59.6	0	0	0	110.6
11	F	35.2	Very low	34.9	Very low	212 Å²	212	159.3 Å²	159.3	93%	0.93	83%	0.831	S	S	*	*			trans	-155.8	102.6	168.6	-113.5	-76.5	0	0	0	108.2
12	M	34.7	Very low	34.7	Very low	161 Å²	161	154.3 Å²	154.3	79%	0.793	82%	0.816	S	S	*	*			trans	159.8	154.4	164.2	-89.6	-78.3	-164.8	0	0	106.9
13	F	37.1	Very low	34.5	Very low	194 Å²	194	159.3 Å²	159.3	85%	0.851	82%	0.817	S	S	*	*			trans	71.9	88.3	-177.6	-53.7	-75.3	0	0	0	116.9
14	F	33.9	Very low	34.5	Very low	199 Å²	199	158.8 Å²	158.8	87%	0.873	82%	0.819	S	S	*	*			trans	-140.9	102.3	148.4	-105.7	-79.9	0	0	0	108.6
15	S	36.3	Very low	34.1	Very low	113 Å²	113	157.7 Å²	157.7	79%	0.79	82%	0.819	S	S	*	*			trans	-173.5	144.5	167.1	-78	0	0	0	0	107.9
16	L	35.7	Very low	33.6	Very low	150 Å²	150	158.7 Å²	158.7	79%	0.785	82%	0.819	S	S	*	*			trans	74.8	75	-173	-60	121.5	0	0	0	116.2	L18	L16-L18 HydrophobicContact CB-CD1 4.39Å; L16-L18 HydrophobicContact CD2-CD1 3.63Å; L16-L18 PolarHBondContact O-N 3.37Å
17	D	33.7	Very low	33	Very low	161 Å²	161	153.8 Å²	153.8	86%	0.861	80%	0.8	S	S	*	*			trans	-74.3	95.7	146.7	-73.4	-55.2	0	0	0	108.4
18	L	35.5	Very low	32.6	Very low	133 Å²	133	150.7 Å²	150.7	70%	0.696	79%	0.794	S	S	*	*			trans	-82.5	140.6	170.7	-122.3	89	0	0	0	110.3	L16 T20	L16-L18 HydrophobicContact CB-CD1 4.39Å; L16-L18 HydrophobicContact CD2-CD1 3.63Å; L16-L18 PolarHBondContact O-N 3.37Å; L18-T20 PolarHBondContact O-N 2.93Å
19	V	34	Very low	32.4	Very low	141 Å²	141	149.4 Å²	149.4	86%	0.855	79%	0.791	S	S	*	*			trans	-62.7	95.6	177	179.6	0	0	0	0	110.9	A21	V19-A21 PolarHBondContact O-N 3.02Å
20	T	32.9	Very low	32.5	Very low	132 Å²	132	150 Å²	150	81%	0.81	78%	0.784	S	S	*	*			trans	-88.5	89.1	167.4	56.4	0	0	0	0	109.8	L18	L18-T20 PolarHBondContact O-N 2.93Å
21	A	31.5	Very low	33.1	Very low	61 Å²	61	144.8 Å²	144.8	50%	0.504	77%	0.77	S	S	.	*			trans	-59.5	141.5	163.7	0	0	0	0	0	109.7	V19 W23	V19-A21 PolarHBondContact O-N 3.02Å; A21-W23 PolarHBondContact O-N 2.65Å; A21-W23 VanDerWaalsContact O-N 3.09Å
22	P	33	Very low	34.2	Very low	121 Å²	121	139.3 Å²	139.3	79%	0.786	75%	0.754	S	S	*	*			trans	-75.6	103.3	-179.4	29.7	-33.2	0	0	0	110.3	K24	P22-K24 VanDerWaalsContact C-N 3.33Å; P22-K24 PolarHBondContact O-N 2.73Å
23	W	29.9	Very low	36.2	Very low	228 Å²	228	132 Å²	132	86%	0.864	72%	0.719	S	S	*	*			trans	-68.1	93.3	167.5	-72.1	55.6	0	0	0	108.1	A21 T25	A21-W23 PolarHBondContact O-N 2.65Å; A21-W23 VanDerWaalsContact O-N 3.09Å; W23-T25 PolarHBondContact O-N 3.25Å
24	K	28.3	Very low	38.2	Very low	193 Å²	193	123.6 Å²	123.6	84%	0.839	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-60.7	124.3	169.4	-81.6	-176.5	174.7	178.5	0	108.5	P22 C26	P22-K24 VanDerWaalsContact C-N 3.33Å; P22-K24 PolarHBondContact O-N 2.73Å; K24-C26 PolarHBondContact O-N 3.47Å
25	T	26.8	Very low	40.5	Very low	138 Å²	138	115 Å²	115	85%	0.847	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-53.7	122.9	174.1	45.7	0	0	0	0	111.3	W23	W23-T25 PolarHBondContact O-N 3.25Å
26	C	27.3	Very low	42.8	Very low	114 Å²	114	115.6 Å²	115.6	77%	0.77	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-60.8	136.2	170	-66.6	0	0	0	0	110.5	K24	K24-C26 PolarHBondContact O-N 3.47Å
27	S	25.8	Very low	45	Very low	75 Å²	75	110.6 Å²	110.6	52%	0.524	62%	0.615	S	S	.	*	P	Polyproline II helix	trans	-73.7	143.5	171.5	-169.8	0	0	0	0	109.9	E29	S27-E29 PolarHBondContact O-N 2.66Å
28	P	27.3	Very low	47.4	Very low	107 Å²	107	103.3 Å²	103.3	70%	0.695	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	-13.1	-172.6	-23.2	34.9	0	0	0	116.2
29	E	32.3	Very low	49.7	Very low	186 Å²	186	99.3 Å²	99.3	87%	0.869	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.1	12.8	-166.5	-65.6	179	148.2	0	0	114.8	S27	S27-E29 PolarHBondContact O-N 2.66Å
30	S	36.6	Very low	51.5	Low	85 Å²	85	98.6 Å²	98.6	59%	0.594	55%	0.549	S	S	*	.			trans	-148.6	87.5	164.3	52.7	0	0	0	0	112	T32	S30-T32 PolarHBondContact O-N 3.41Å
31	H	47.8	Very low	53.2	Low	137 Å²	137	99 Å²	99	63%	0.634	54%	0.539	S	S	*	.			trans	-78.3	88.7	177.5	-83	81	0	0	0	111	C33	H31-C33 PolarHBondContact O-N 2.96Å; H31-C33 VanDerWaalsContact O-N 3.1Å
32	T	57.5	Low	54.6	Low	97 Å²	97	100 Å²	100	60%	0.595	54%	0.535	S	S	*	.			trans	-75.3	90.3	167.2	41.4	0	0	0	0	110	S30	S30-T32 PolarHBondContact O-N 3.41Å
33	C	76.5	Confident	55.7	Low	7 Å²	7	102.9 Å²	102.9	5%	0.047	54%	0.538	C	S	.	.	B	Isolated β-bridge	trans	-82.7	135.2	172.3	-24.4	0	0	0	0	110.2	H31 M55 Y56 C59 V62 H63	H31-C33 PolarHBondContact O-N 2.96Å; H31-C33 VanDerWaalsContact O-N 3.1Å; C33-M55 WeakPolarHBondContact CB-O 2.89Å; C33-Y56 HydrophobicContact CB-CD1 4.24Å; C33-C59 HydrophobicContact CB-CB 3.87Å; C33-C59 WeakPolarHBondContact CB-SG 3.41Å; C33-C59 WeakPolarHBondContact SG-CB 3.39Å; C33-C59 CovalentContact SG-SG 2.02Å; C33-C59 PolarHBondContact SG-SG 3.11Å; C33-V62 WeakPolarHBondContact O-CG1 3.41Å; C33-H63 PolarHBondContact O-N 3.1Å; C33-H63 VanDerWaalsContact O-N 3.13Å
34	G	80.2	Confident	57.1	Low	17 Å²	17	96.8 Å²	96.8	18%	0.175	53%	0.526	C	S	.	.			trans	158.5	165.6	173.6	0	0	0	0	0	113.5	M55 N65	G34-M55 PolarHBondContact N-SD 3.48Å; G34-N65 WeakPolarHBondContact CA-O 3.19Å
35	T	82.7	Confident	58.3	Low	20 Å²	20	96.8 Å²	96.8	12%	0.123	53%	0.529	C	S	.	.	B	Isolated β-bridge	trans	-142.7	160.7	175.8	48.4	0	0	0	0	112	N37 M55 Y56 N65 E67	T35-N37 WeakPolarHBondContact CB-ND2 3.28Å; T35-M55 HydrophobicContact CG2-CE 4.21Å; T35-M55 HydrophobicContact CG2-CG 4.24Å; T35-Y56 PolarHBondContact N-OH 2.81Å; T35-Y56 PolarHBondContact OG1-OH 3.32Å; T35-N65 PolarHBondContact N-O 3.43Å; T35-N65 VanDerWaalsContact O-CB 3.28Å; T35-N65 WeakPolarHBondContact O-CB 3.1Å; T35-N65 PolarHBondContact O-ND2 2.91Å; T35-E67 WeakPolarHBondContact CB-OE2 3.42Å; T35-E67 VanDerWaalsContact OG1-CB 3.3Å; T35-E67 WeakPolarHBondContact OG1-CB 3.22Å; T35-E67 VanDerWaalsContact OG1-CG 3.27Å; T35-E67 WeakPolarHBondContact OG1-CG 3.43Å; T35-E67 PolarHBondContact OG1-OE2 3.1Å
36	E	83.8	Confident	59.8	Low	125 Å²	125	98 Å²	98	58%	0.584	53%	0.525	S	S	*	.			trans	-138.7	33.1	178.3	-46.1	-141.8	119.3	0	0	112.3	G38 N65 K119	E36-G38 VanDerWaalsContact C-N 3.35Å; E36-N65 PolarHBondContact OE1-ND2 3.28Å; E36-K119 VanDerWaalsContact OE1-CD 3.28Å; E36-K119 WeakPolarHBondContact OE1-CD 3.22Å; E36-K119 IonicContact OE1-NZ 2.72Å; E36-K119 PolarHBondContact OE1-NZ 2.99Å; E36-K119 IonicContact OE2-NZ 3.92Å; E36-K119 PolarHBondContact OE2-NZ 2.93Å
37	N	81.5	Confident	61.9	Low	44 Å²	44	99.4 Å²	99.4	24%	0.235	52%	0.518	C	S	.	.			trans	-78.9	-21.1	-178.7	-42.5	-83.3	0	0	0	112.2	T35 L39 N40 E67	T35-N37 WeakPolarHBondContact CB-ND2 3.28Å; N37-L39 PolarHBondContact O-N 3.29Å; N37-N40 VanDerWaalsContact O-CB 3.3Å; N37-N40 WeakPolarHBondContact O-CB 3.38Å; N37-N40 PolarHBondContact O-N 3.43Å; N37-N40 VanDerWaalsContact O-N 3.1Å; N37-N40 PolarHBondContact O-ND2 3.23Å; N37-E67 WeakPolarHBondContact CA-OE2 3.36Å; N37-E67 WeakPolarHBondContact CB-OE2 3.38Å; N37-E67 PolarHBondContact N-OE1 2.88Å; N37-E67 PolarHBondContact N-OE2 3.25Å; N37-E67 PolarHBondContact ND2-OE2 3.28Å; N37-E67 VanDerWaalsContact ND2-OE2 3.09Å
38	G	84.7	Confident	64.4	Low	9 Å²	9	98.5 Å²	98.5	9%	0.093	51%	0.505	C	S	.	.	T	Hydrogen-bonded Turn	trans	60	-126.5	-175.3	0	0	0	0	0	112.1	E36 E67 L98	E36-G38 VanDerWaalsContact C-N 3.35Å; G38-E67 WeakPolarHBondContact CA-OE1 2.93Å; G38-E67 PolarHBondContact N-OE1 3.46Å; G38-E67 PolarHBondContact N-OE2 3.07Å; G38-L98 WeakPolarHBondContact O-CD2 3.4Å
39	L	83.2	Confident	67	Low	49 Å²	49	94 Å²	94	26%	0.257	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	13.2	176	-65.4	173.1	0	0	0	113	N37 K41 Y70 L98 A100 F121 L137	N37-L39 PolarHBondContact O-N 3.29Å; L39-K41 PolarHBondContact O-N 3.25Å; L39-Y70 WeakPolarHBondContact O-CE2 3.28Å; L39-Y70 PolarHBondContact O-OH 3.04Å; L39-L98 HydrophobicContact CD2-CD1 4.45Å; L39-L98 HydrophobicContact CD2-CD2 4.3Å; L39-A100 HydrophobicContact CD2-CB 3.62Å; L39-F121 HydrophobicContact CD1-CE1 4.3Å; L39-F121 HydrophobicContact CD1-CZ 3.87Å; L39-F121 HydrophobicContact CG-CZ 3.82Å; L39-L137 HydrophobicContact CD1-CD2 4.38Å
40	N	73	Confident	69.2	Low	126 Å²	126	88.9 Å²	88.9	67%	0.674	45%	0.453	S	S	*	.			trans	-72.1	113.4	176	-67.8	-29.5	0	0	0	110.2	N37 L42	N37-N40 VanDerWaalsContact O-CB 3.3Å; N37-N40 WeakPolarHBondContact O-CB 3.38Å; N37-N40 PolarHBondContact O-N 3.43Å; N37-N40 VanDerWaalsContact O-N 3.1Å; N37-N40 PolarHBondContact O-ND2 3.23Å; N40-L42 PolarHBondContact O-N 3.17Å; N40-L42 VanDerWaalsContact O-N 3.13Å
41	K	67.6	Low	71.3	Confident	139 Å²	139	90.4 Å²	90.4	60%	0.604	45%	0.446	S	S	*	.			trans	-71	106.3	176.4	-173.2	-176.3	178.9	-171.9	0	110	L39 E43 Y70	L39-K41 PolarHBondContact O-N 3.25Å; K41-E43 PolarHBondContact O-N 3.2Å; K41-Y70 HydrophobicContact CB-CD2 4.21Å; K41-Y70 HydrophobicContact CB-CE2 4.07Å; K41-Y70 HydrophobicContact CG-CD2 4.33Å; K41-Y70 HydrophobicContact CG-CG 4.32Å
42	L	60.6	Low	73.1	Confident	82 Å²	82	84.9 Å²	84.9	43%	0.429	42%	0.421	S	S	.	.			trans	-63.2	117.5	171.7	-71.2	155	0	0	0	109.7	N40 V44	N40-L42 PolarHBondContact O-N 3.17Å; N40-L42 VanDerWaalsContact O-N 3.13Å; L42-V44 PolarHBondContact O-N 3.18Å
43	E	56.9	Low	74.5	Confident	182 Å²	182	87.4 Å²	87.4	85%	0.85	42%	0.42	S	S	*	.			trans	-75.5	0.2	-173.3	-62.5	-167.8	132.7	0	0	115	K41 Q45	K41-E43 PolarHBondContact O-N 3.2Å; E43-Q45 PolarHBondContact O-N 3.29Å
44	V	58.9	Low	74.8	Confident	100 Å²	100	93.9 Å²	93.9	61%	0.606	45%	0.453	S	S	*	.			trans	-70.4	120.9	-175.9	-173.6	0	0	0	0	110.4	L42 E46	L42-V44 PolarHBondContact O-N 3.18Å; V44-E46 VanDerWaalsContact C-N 3.26Å; V44-E46 PolarHBondContact O-N 3.34Å
45	Q	52.8	Low	74.9	Confident	194 Å²	194	95.9 Å²	95.9	91%	0.907	46%	0.459	S	S	*	.			trans	-73.7	-3.5	-171.6	-70.9	-164.7	-16.2	0	0	115.7	E43	E43-Q45 PolarHBondContact O-N 3.29Å
46	E	58.6	Low	75.2	Confident	162 Å²	162	94.9 Å²	94.9	76%	0.757	45%	0.453	S	S	*	.	S	Bend	trans	-118.2	120.5	-171.9	-65	-167.7	147.7	0	0	113.9	V44	V44-E46 VanDerWaalsContact C-N 3.26Å; V44-E46 PolarHBondContact O-N 3.34Å
47	K	71.3	Confident	75.3	Confident	144 Å²	144	90.5 Å²	90.5	63%	0.626	44%	0.438	S	S	*	.			trans	52.7	64.1	159.8	-51.5	-157.7	-168.5	-175.3	0	118.4	I49 D50 R51	K47-I49 VanDerWaalsContact C-N 3.27Å; K47-I49 PolarHBondContact O-N 3.49Å; K47-D50 HydrophobicContact CB-CB 4.03Å; K47-D50 HydrophobicContact CD-CB 4.31Å; K47-D50 WeakPolarHBondContact CD-OD2 3.43Å; K47-D50 IonicContact NZ-OD2 3.52Å; K47-D50 PolarHBondContact NZ-OD2 3.11Å; K47-D50 PolarHBondContact O-N 2.98Å; K47-R51 PolarHBondContact O-N 3.42Å
48	K	79.1	Confident	75.6	Confident	56 Å²	56	96 Å²	96	24%	0.243	47%	0.467	C	S	.	.	H	α-helix	trans	-51.8	-41.7	170.9	-59.1	174.4	-163.5	150.4	0	113.6	R51 L52 Y70 L71 D75	K48-R51 WeakPolarHBondContact O-CB 3.32Å; K48-R51 PolarHBondContact O-N 3.18Å; K48-L52 PolarHBondContact O-N 3.41Å; K48-Y70 PolarHBondContact NZ-O 3.44Å; K48-L71 HydrophobicContact CB-CD2 3.72Å; K48-L71 HydrophobicContact CD-CD2 4.08Å; K48-D75 IonicContact NZ-OD1 2.89Å; K48-D75 PolarHBondContact NZ-OD1 2.98Å; K48-D75 IonicContact NZ-OD2 2.9Å; K48-D75 PolarHBondContact NZ-OD2 3.07Å
49	I	81	Confident	75.8	Confident	14 Å²	14	95.8 Å²	95.8	7%	0.072	46%	0.464	C	S	.	.	H	α-helix	trans	-65	-41.6	-178.4	-63.7	-177.8	0	0	0	111.8	K47 R51 L52 R53 L71 D75 L76 T79 T83 F84	K47-I49 VanDerWaalsContact C-N 3.27Å; K47-I49 PolarHBondContact O-N 3.49Å; I49-R51 VanDerWaalsContact C-N 3.26Å; I49-R51 PolarHBondContact O-N 3.43Å; I49-L52 PolarHBondContact O-N 2.92Å; I49-R53 WeakPolarHBondContact O-CB 3.47Å; I49-R53 PolarHBondContact O-N 3.01Å; I49-L71 HydrophobicContact CG1-CD2 4.08Å; I49-D75 WeakPolarHBondContact CD1-O 3.49Å; I49-L76 HydrophobicContact CD1-CD2 4.23Å; I49-T79 HydrophobicContact CD1-CG2 4.24Å; I49-T83 HydrophobicContact CD1-CG2 4.32Å; I49-T83 HydrophobicContact CG2-CG2 3.51Å; I49-F84 HydrophobicContact CD1-CZ 4.32Å
50	D	79.5	Confident	76.1	Confident	77 Å²	77	96.9 Å²	96.9	41%	0.412	47%	0.473	S	S	.	.	H	α-helix	trans	-63.8	-34.2	177.1	-78	-4.2	0	0	0	110.8	K47 R53 L54	K47-D50 HydrophobicContact CB-CB 4.03Å; K47-D50 HydrophobicContact CD-CB 4.31Å; K47-D50 WeakPolarHBondContact CD-OD2 3.43Å; K47-D50 IonicContact NZ-OD2 3.52Å; K47-D50 PolarHBondContact NZ-OD2 3.11Å; K47-D50 PolarHBondContact O-N 2.98Å; D50-R53 PolarHBondContact O-N 3.01Å; D50-L54 WeakPolarHBondContact O-CB 3.27Å; D50-L54 PolarHBondContact O-N 3.21Å
51	R	80.7	Confident	76.9	Confident	117 Å²	117	92.2 Å²	92.2	44%	0.442	45%	0.448	S	S	.	.	H	α-helix	trans	-68.8	-42.2	174.1	-175.2	175.1	176.3	175.7	-5.2	112.7	K47 K48 I49 R53 L54 M55	K47-R51 PolarHBondContact O-N 3.42Å; K48-R51 WeakPolarHBondContact O-CB 3.32Å; K48-R51 PolarHBondContact O-N 3.18Å; I49-R51 VanDerWaalsContact C-N 3.26Å; I49-R51 PolarHBondContact O-N 3.43Å; R51-R53 VanDerWaalsContact C-N 3.32Å; R51-L54 PolarHBondContact O-N 3.09Å; R51-M55 WeakPolarHBondContact O-CB 3.35Å; R51-M55 PolarHBondContact O-N 3.38Å
52	L	86.1	Confident	77.9	Confident	22 Å²	22	85.6 Å²	85.6	12%	0.115	42%	0.419	C	S	.	.	H	α-helix	trans	-62.1	-42.3	173.1	-70.2	174	0	0	0	111	K48 I49 M55 Y56 E67 L71 F86 F87	K48-L52 PolarHBondContact O-N 3.41Å; I49-L52 PolarHBondContact O-N 2.92Å; L52-M55 PolarHBondContact O-N 3.04Å; L52-Y56 HydrophobicContact CD2-CD2 4.2Å; L52-Y56 HydrophobicContact CD2-CE2 3.96Å; L52-Y56 WeakPolarHBondContact O-CB 3.49Å; L52-Y56 WeakPolarHBondContact O-CD2 3.26Å; L52-Y56 PolarHBondContact O-N 3.12Å; L52-E67 WeakPolarHBondContact CD2-O 3.13Å; L52-L71 HydrophobicContact CD1-CD1 3.84Å; L52-L71 HydrophobicContact CD1-CD2 4.12Å; L52-L71 HydrophobicContact CD1-CG 4.41Å; L52-F86 HydrophobicContact CB-CE2 4.25Å; L52-F86 HydrophobicContact CB-CZ 3.92Å; L52-F87 HydrophobicContact CB-CZ 4.25Å; L52-F87 HydrophobicContact CD1-CZ 4.46Å
53	R	85.8	Confident	79	Confident	149 Å²	149	84.1 Å²	84.1	56%	0.562	41%	0.41	S	S	*	.	H	α-helix	trans	-62.6	-44.2	175.8	-172.8	177.1	-178	170.4	2.7	112	I49 D50 R51 M55 A57 F86	I49-R53 WeakPolarHBondContact O-CB 3.47Å; I49-R53 PolarHBondContact O-N 3.01Å; D50-R53 PolarHBondContact O-N 3.01Å; R51-R53 VanDerWaalsContact C-N 3.32Å; R53-M55 VanDerWaalsContact C-N 3.25Å; R53-M55 PolarHBondContact O-N 2.8Å; R53-A57 HydrophobicContact CG-CB 4.13Å; R53-A57 WeakPolarHBondContact O-CB 3.34Å; R53-A57 PolarHBondContact O-N 3.05Å; R53-F86 HydrophobicContact CB-CD1 3.95Å; R53-F86 HydrophobicContact CB-CE1 3.79Å; R53-F86 HydrophobicContact CB-CE2 4.38Å; R53-F86 HydrophobicContact CB-CG 4.33Å; R53-F86 HydrophobicContact CB-CZ 4.03Å; R53-F86 HydrophobicContact CG-CB 4.46Å; R53-F86 HydrophobicContact CG-CD1 3.82Å; R53-F86 HydrophobicContact CG-CE1 4.2Å; R53-F86 HydrophobicContact CG-CG 4.07Å
54	L	82.4	Confident	80.3	Confident	143 Å²	143	76.1 Å²	76.1	75%	0.749	38%	0.377	S	S	*	.	H	α-helix	trans	-65.7	-28.1	178.1	-173.7	141.1	0	0	0	112.8	D50 R51	D50-L54 WeakPolarHBondContact O-CB 3.27Å; D50-L54 PolarHBondContact O-N 3.21Å; R51-L54 PolarHBondContact O-N 3.09Å
55	M	83.5	Confident	81.9	Confident	59 Å²	59	71.4 Å²	71.4	29%	0.291	35%	0.348	S	S	.	.	H	α-helix	trans	-84.4	-38.7	177.9	-173.8	59.4	71.9	0	0	113.8	C33 G34 T35 R51 L52 R53	C33-M55 WeakPolarHBondContact CB-O 2.89Å; G34-M55 PolarHBondContact N-SD 3.48Å; T35-M55 HydrophobicContact CG2-CE 4.21Å; T35-M55 HydrophobicContact CG2-CG 4.24Å; R51-M55 WeakPolarHBondContact O-CB 3.35Å; R51-M55 PolarHBondContact O-N 3.38Å; L52-M55 PolarHBondContact O-N 3.04Å; R53-M55 VanDerWaalsContact C-N 3.25Å; R53-M55 PolarHBondContact O-N 2.8Å
56	Y	88.8	Confident	83.9	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-117.6	-7.7	-166.2	-62.5	-68.3	0	0	0	115	C33 T35 L52 C59 V62 N65 L66 E67 F87 I90	C33-Y56 HydrophobicContact CB-CD1 4.24Å; T35-Y56 PolarHBondContact N-OH 2.81Å; T35-Y56 PolarHBondContact OG1-OH 3.32Å; L52-Y56 HydrophobicContact CD2-CD2 4.2Å; L52-Y56 HydrophobicContact CD2-CE2 3.96Å; L52-Y56 WeakPolarHBondContact O-CB 3.49Å; L52-Y56 WeakPolarHBondContact O-CD2 3.26Å; L52-Y56 PolarHBondContact O-N 3.12Å; Y56-C59 VanDerWaalsContact O-CB 3.25Å; Y56-C59 WeakPolarHBondContact O-CB 3.49Å; Y56-C59 PolarHBondContact O-N 2.89Å; Y56-V62 HydrophobicContact CD1-CG2 4.15Å; Y56-V62 HydrophobicContact CE1-CG1 3.99Å; Y56-V62 HydrophobicContact CE1-CG2 4.18Å; Y56-N65 PolarHBondContact OH-O 3.34Å; Y56-L66 HydrophobicContact CD1-CD1 3.94Å; Y56-L66 HydrophobicContact CD2-CD1 4.19Å; Y56-L66 HydrophobicContact CE1-CD1 3.69Å; Y56-L66 HydrophobicContact CE2-CD1 3.96Å; Y56-L66 HydrophobicContact CG-CD1 4.19Å; Y56-E67 PolarHBondContact OH-N 2.94Å; Y56-F87 AromaticContact CD2-CE1 3.64Å; Y56-F87 HydrophobicContact CD2-CE1 3.64Å; Y56-F87 HydrophobicContact CD2-CZ 4.28Å; Y56-F87 HydrophobicContact CE2-CE1 4.44Å; Y56-F87 HydrophobicContact CG-CD1 4.36Å; Y56-F87 AromaticContact CG-CE1 3.79Å; Y56-F87 HydrophobicContact CG-CE1 3.79Å; Y56-I90 HydrophobicContact CD1-CD1 4.35Å
57	A	86.3	Confident	85.4	Confident	33 Å²	33	54.7 Å²	54.7	27%	0.273	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	140.2	174.9	0	0	0	0	0	111.7	R53 C59 F86	R53-A57 HydrophobicContact CG-CB 4.13Å; R53-A57 WeakPolarHBondContact O-CB 3.34Å; R53-A57 PolarHBondContact O-N 3.05Å; A57-C59 PolarHBondContact O-N 2.81Å; A57-C59 VanDerWaalsContact O-N 3.15Å; A57-F86 HydrophobicContact CB-CB 3.91Å; A57-F86 HydrophobicContact CB-CG 4.49Å
58	N	85.9	Confident	86.4	Confident	159 Å²	159	47.9 Å²	47.9	85%	0.85	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	13.6	-174.4	-53.9	-21.5	0	0	0	114.6
59	C	89	Confident	86.9	Confident	5 Å²	5	46.6 Å²	46.6	3%	0.034	24%	0.237	C	C	.	.			trans	-85.4	127.5	177	-161.4	0	0	0	0	111.5	C33 Y56 A57 I61 G89 I90	C33-C59 HydrophobicContact CB-CB 3.87Å; C33-C59 WeakPolarHBondContact CB-SG 3.41Å; C33-C59 WeakPolarHBondContact SG-CB 3.39Å; C33-C59 CovalentContact SG-SG 2.02Å; C33-C59 PolarHBondContact SG-SG 3.11Å; Y56-C59 VanDerWaalsContact O-CB 3.25Å; Y56-C59 WeakPolarHBondContact O-CB 3.49Å; Y56-C59 PolarHBondContact O-N 2.89Å; A57-C59 PolarHBondContact O-N 2.81Å; A57-C59 VanDerWaalsContact O-N 3.15Å; C59-I61 PolarHBondContact SG-O 3.36Å; C59-G89 CarbonylContact O-C 3.08Å; C59-G89 WeakPolarHBondContact O-CA 3.35Å; C59-I90 HydrophobicContact CB-CG1 4.49Å; C59-I90 WeakPolarHBondContact O-CA 3.17Å; C59-I90 WeakPolarHBondContact O-CG1 3.43Å; C59-I90 PolarHBondContact O-N 2.97Å
60	T	90.5	Very high	87.2	Confident	72 Å²	72	48.2 Å²	48.2	44%	0.442	24%	0.243	S	C	.	.	S	Bend	trans	-98.9	-36.6	172	50.4	0	0	0	0	112.4	G89 E91 E92	T60-G89 WeakPolarHBondContact CA-O 3.47Å; T60-E91 PolarHBondContact O-N 2.83Å; T60-E92 PolarHBondContact O-N 3.04Å
61	I	88.6	Confident	87.6	Confident	27 Å²	27	44.6 Å²	44.6	14%	0.138	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	116.5	-177.8	-57.1	169.6	0	0	0	108.4	C59 H63 E92 T94	C59-I61 PolarHBondContact SG-O 3.36Å; I61-H63 PolarHBondContact O-CD2 2.63Å; I61-H63 PolarHBondContact O-N 3.06Å; I61-E92 WeakPolarHBondContact CA-O 3.11Å; I61-E92 HydrophobicContact CG1-CB 4.2Å; I61-E92 HydrophobicContact CG1-CG 4.31Å; I61-E92 HydrophobicContact CG2-CB 4.2Å; I61-T94 HydrophobicContact CG2-CG2 4.47Å
62	V	89.8	Confident	87.8	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	103.2	175.2	-179.4	0	0	0	0	108.7	C33 Y56 G64 I90 E92 V93 T94	C33-V62 WeakPolarHBondContact O-CG1 3.41Å; Y56-V62 HydrophobicContact CD1-CG2 4.15Å; Y56-V62 HydrophobicContact CE1-CG1 3.99Å; Y56-V62 HydrophobicContact CE1-CG2 4.18Å; V62-G64 VanDerWaalsContact C-N 3.31Å; V62-G64 PolarHBondContact O-N 2.97Å; V62-I90 HydrophobicContact CG2-CD1 3.87Å; V62-I90 HydrophobicContact CG2-CG1 4.2Å; V62-I90 HydrophobicContact CG2-CG2 3.95Å; V62-E92 PolarHBondContact N-O 2.86Å; V62-V93 HydrophobicContact CB-CB 4.4Å; V62-V93 HydrophobicContact CB-CG1 4.26Å; V62-V93 HydrophobicContact CB-CG2 4.05Å; V62-V93 HydrophobicContact CG1-CG1 4.39Å; V62-V93 HydrophobicContact CG2-CG2 4.17Å; V62-T94 PolarHBondContact O-N 2.92Å; V62-T94 PolarHBondContact O-OG1 3.11Å
63	H	82.7	Confident	87.5	Confident	51 Å²	51	44.5 Å²	44.5	24%	0.236	24%	0.236	C	C	.	.	S	Bend	trans	-79.2	79.2	174.6	-64.9	-90.6	0	0	0	110	C33 I61	C33-H63 PolarHBondContact O-N 3.1Å; C33-H63 VanDerWaalsContact O-N 3.13Å; I61-H63 PolarHBondContact O-CD2 2.63Å; I61-H63 PolarHBondContact O-N 3.06Å
64	G	85.3	Confident	87.1	Confident	15 Å²	15	41.5 Å²	41.5	16%	0.155	24%	0.244	C	C	.	.	S	Bend	trans	135.5	-142	-171.2	0	0	0	0	0	110	V62 T94 G95	V62-G64 VanDerWaalsContact C-N 3.31Å; V62-G64 PolarHBondContact O-N 2.97Å; G64-T94 PolarHBondContact N-OG1 2.87Å; G64-G95 VanDerWaalsContact O-CA 3.27Å; G64-G95 WeakPolarHBondContact O-CA 3.47Å; G64-G95 PolarHBondContact O-N 2.91Å
65	N	91.5	Very high	86.8	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-110.5	146.2	-173.1	-33	-75	0	0	0	111.9	G34 T35 E36 Y56 E67 G95 Y96	G34-N65 WeakPolarHBondContact CA-O 3.19Å; T35-N65 PolarHBondContact N-O 3.43Å; T35-N65 VanDerWaalsContact O-CB 3.28Å; T35-N65 WeakPolarHBondContact O-CB 3.1Å; T35-N65 PolarHBondContact O-ND2 2.91Å; E36-N65 PolarHBondContact OE1-ND2 3.28Å; Y56-N65 PolarHBondContact OH-O 3.34Å; N65-E67 HydrophobicContact CB-CG 4.31Å; N65-G95 WeakPolarHBondContact OD1-CA 3.41Å; N65-Y96 CarbonylContact C-O 3.4Å; N65-Y96 VanDerWaalsContact CA-O 3.25Å; N65-Y96 WeakPolarHBondContact CA-O 3.38Å; N65-Y96 HydrophobicContact CB-CD1 4.12Å; N65-Y96 HydrophobicContact CB-CD2 3.79Å; N65-Y96 HydrophobicContact CB-CE1 3.96Å; N65-Y96 HydrophobicContact CB-CE2 3.57Å; N65-Y96 HydrophobicContact CB-CG 4.04Å; N65-Y96 WeakPolarHBondContact CB-O 3.45Å; N65-Y96 VanDerWaalsContact CG-CZ 3.5Å; N65-Y96 WeakPolarHBondContact OD1-CD1 3.4Å; N65-Y96 WeakPolarHBondContact OD1-CE1 3.39Å; N65-Y96 PolarHBondContact OD1-N 2.89Å
66	L	94.3	Very high	86.5	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	103.9	171.9	174.3	57.6	0	0	0	108.5	Y56 I68 F87 I90 V93 Y96 V97 L98 L109	Y56-L66 HydrophobicContact CD1-CD1 3.94Å; Y56-L66 HydrophobicContact CD2-CD1 4.19Å; Y56-L66 HydrophobicContact CE1-CD1 3.69Å; Y56-L66 HydrophobicContact CE2-CD1 3.96Å; Y56-L66 HydrophobicContact CG-CD1 4.19Å; L66-I68 HydrophobicContact CD1-CD1 4.48Å; L66-I68 HydrophobicContact CD1-CG1 4.33Å; L66-F87 HydrophobicContact CD1-CD1 4.16Å; L66-F87 HydrophobicContact CD1-CE1 3.71Å; L66-I90 HydrophobicContact CD1-CD1 4.18Å; L66-I90 HydrophobicContact CD2-CD1 4.13Å; L66-V93 HydrophobicContact CB-CG1 4.4Å; L66-V93 HydrophobicContact CB-CG2 4.27Å; L66-V93 HydrophobicContact CD2-CG2 4.39Å; L66-Y96 PolarHBondContact N-O 2.79Å; L66-V97 HydrophobicContact CB-CG1 4.49Å; L66-V97 HydrophobicContact CB-CG2 4.23Å; L66-V97 HydrophobicContact CD2-CG1 4.2Å; L66-V97 HydrophobicContact CD2-CG2 4.39Å; L66-V97 HydrophobicContact CG-CG1 4.38Å; L66-V97 WeakPolarHBondContact O-CA 3.34Å; L66-L98 PolarHBondContact O-N 2.83Å; L66-L109 HydrophobicContact CD2-CD1 3.76Å
67	E	92	Very high	85.3	Confident	5 Å²	5	41.3 Å²	41.3	2%	0.023	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	120.5	-178.4	-53.2	-177.2	148.3	0	0	110.7	T35 N37 G38 L52 Y56 N65 Y96 L98	T35-E67 WeakPolarHBondContact CB-OE2 3.42Å; T35-E67 VanDerWaalsContact OG1-CB 3.3Å; T35-E67 WeakPolarHBondContact OG1-CB 3.22Å; T35-E67 VanDerWaalsContact OG1-CG 3.27Å; T35-E67 WeakPolarHBondContact OG1-CG 3.43Å; T35-E67 PolarHBondContact OG1-OE2 3.1Å; N37-E67 WeakPolarHBondContact CA-OE2 3.36Å; N37-E67 WeakPolarHBondContact CB-OE2 3.38Å; N37-E67 PolarHBondContact N-OE1 2.88Å; N37-E67 PolarHBondContact N-OE2 3.25Å; N37-E67 PolarHBondContact ND2-OE2 3.28Å; N37-E67 VanDerWaalsContact ND2-OE2 3.09Å; G38-E67 WeakPolarHBondContact CA-OE1 2.93Å; G38-E67 PolarHBondContact N-OE1 3.46Å; G38-E67 PolarHBondContact N-OE2 3.07Å; L52-E67 WeakPolarHBondContact CD2-O 3.13Å; Y56-E67 PolarHBondContact OH-N 2.94Å; N65-E67 HydrophobicContact CB-CG 4.31Å; E67-Y96 HydrophobicContact CG-CE2 4.06Å; E67-Y96 PolarHBondContact OE1-OH 2.97Å; E67-L98 WeakPolarHBondContact CA-O 3.46Å; E67-L98 HydrophobicContact CG-CB 4.38Å
68	I	91.2	Very high	83.8	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	97.4	174.7	-55.2	178.4	0	0	0	106.5	L66 L71 F87 L98 I99 A100 N102 F107	L66-I68 HydrophobicContact CD1-CD1 4.48Å; L66-I68 HydrophobicContact CD1-CG1 4.33Å; I68-L71 HydrophobicContact CG2-CD1 3.73Å; I68-F87 HydrophobicContact CD1-CE1 4.07Å; I68-F87 HydrophobicContact CD1-CE2 3.9Å; I68-F87 HydrophobicContact CD1-CZ 3.65Å; I68-F87 HydrophobicContact CG1-CE1 4.38Å; I68-F87 HydrophobicContact CG1-CZ 3.9Å; I68-L98 PolarHBondContact N-O 2.83Å; I68-I99 HydrophobicContact CB-CG1 4.48Å; I68-I99 HydrophobicContact CB-CG2 4.38Å; I68-I99 WeakPolarHBondContact O-CA 3.28Å; I68-A100 PolarHBondContact O-N 2.8Å; I68-N102 PolarHBondContact O-ND2 2.92Å; I68-F107 HydrophobicContact CD1-CE1 3.73Å; I68-F107 HydrophobicContact CD1-CE2 4.12Å; I68-F107 HydrophobicContact CD1-CZ 3.33Å
69	T	89.5	Confident	82.5	Confident	29 Å²	29	42.5 Å²	42.5	18%	0.178	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	147.2	-173.1	63.4	0	0	0	0	114.2	L71 L98 A100	T69-L71 VanDerWaalsContact C-N 3.33Å; T69-L71 PolarHBondContact O-N 2.95Å; T69-L98 HydrophobicContact CG2-CD2 4.08Å; T69-L98 HydrophobicContact CG2-CG 4.08Å; T69-A100 WeakPolarHBondContact CA-O 3.36Å; T69-A100 HydrophobicContact CG2-CB 4.1Å
70	Y	88.4	Confident	80.8	Confident	49 Å²	49	45.9 Å²	45.9	19%	0.192	27%	0.272	C	S	.	.			trans	56.4	33.8	172.4	-56.7	-73.6	0	0	0	116.1	L39 K41 K48 N72 A100 H101 N102	L39-Y70 WeakPolarHBondContact O-CE2 3.28Å; L39-Y70 PolarHBondContact O-OH 3.04Å; K41-Y70 HydrophobicContact CB-CD2 4.21Å; K41-Y70 HydrophobicContact CB-CE2 4.07Å; K41-Y70 HydrophobicContact CG-CD2 4.33Å; K41-Y70 HydrophobicContact CG-CG 4.32Å; K48-Y70 PolarHBondContact NZ-O 3.44Å; Y70-N72 PolarHBondContact O-N 3.2Å; Y70-A100 PolarHBondContact N-O 3.32Å; Y70-A100 VanDerWaalsContact N-O 3.1Å; Y70-H101 WeakPolarHBondContact CA-O 3.29Å; Y70-H101 HydrophobicContact CD1-CB 3.59Å; Y70-H101 HydrophobicContact CE1-CB 3.64Å; Y70-H101 AromaticContact CE1-CD2 3.73Å; Y70-H101 AromaticContact CE1-CG 3.67Å; Y70-H101 HydrophobicContact CG-CB 4.36Å; Y70-H101 AromaticContact CZ-CD2 3.85Å; Y70-N102 PolarHBondContact N-OD1 2.72Å
71	L	87.2	Confident	79	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.284	C	S	.	.			trans	-80.8	105.7	170.2	-61.4	175.3	0	0	0	110	K48 I49 L52 I68 T69 F84 N102 S103 I104	K48-L71 HydrophobicContact CB-CD2 3.72Å; K48-L71 HydrophobicContact CD-CD2 4.08Å; I49-L71 HydrophobicContact CG1-CD2 4.08Å; L52-L71 HydrophobicContact CD1-CD1 3.84Å; L52-L71 HydrophobicContact CD1-CD2 4.12Å; L52-L71 HydrophobicContact CD1-CG 4.41Å; I68-L71 HydrophobicContact CG2-CD1 3.73Å; T69-L71 VanDerWaalsContact C-N 3.33Å; T69-L71 PolarHBondContact O-N 2.95Å; L71-F84 HydrophobicContact CD1-CE1 4.07Å; L71-F84 HydrophobicContact CD1-CZ 4.18Å; L71-N102 HydrophobicContact CB-CB 4.33Å; L71-N102 WeakPolarHBondContact CB-OD1 3.26Å; L71-N102 WeakPolarHBondContact CG-OD1 3.45Å; L71-N102 PolarHBondContact N-OD1 3.48Å; L71-N102 CarbonylContact O-C 3.4Å; L71-N102 WeakPolarHBondContact O-CA 3.23Å; L71-S103 PolarHBondContact O-N 3.46Å; L71-I104 HydrophobicContact CD1-CD1 3.77Å
72	N	84.8	Confident	77.6	Confident	73 Å²	73	51.5 Å²	51.5	39%	0.39	31%	0.305	S	S	.	.			trans	-89.6	166.6	-178.3	-66	-9.9	0	0	0	111.2	Y70 A74 D75 L76	Y70-N72 PolarHBondContact O-N 3.2Å; N72-A74 PolarHBondContact O-N 3.08Å; N72-D75 WeakPolarHBondContact CB-OD2 3.23Å; N72-D75 PolarHBondContact N-OD2 3.21Å; N72-D75 WeakPolarHBondContact O-CA 3.27Å; N72-D75 WeakPolarHBondContact O-CB 3.34Å; N72-D75 PolarHBondContact O-N 3.37Å; N72-L76 WeakPolarHBondContact O-CG 3.44Å; N72-L76 PolarHBondContact O-N 3.27Å
73	S	80.4	Confident	76.5	Confident	64 Å²	64	52.9 Å²	52.9	45%	0.448	31%	0.314	S	S	.	.	H	α-helix	trans	-49.4	-43.1	173.4	-52.1	0	0	0	0	113	D75 L76 D77 S103	S73-D75 VanDerWaalsContact C-N 3.25Å; S73-D75 PolarHBondContact O-N 2.04Å; S73-L76 CarbonylContact O-C 3.59Å; S73-L76 VanDerWaalsContact O-CA 3.28Å; S73-L76 WeakPolarHBondContact O-CA 3.06Å; S73-L76 WeakPolarHBondContact O-CB 3.43Å; S73-L76 PolarHBondContact O-N 3.44Å; S73-D77 VanDerWaalsContact C-OD2 3.27Å; S73-D77 WeakPolarHBondContact O-CB 3.27Å; S73-D77 PolarHBondContact O-N 3.45Å; S73-D77 VanDerWaalsContact O-OD2 3.14Å; S73-S103 PolarHBondContact N-OG 3.46Å
74	A	76.8	Confident	76.3	Confident	86 Å²	86	51.6 Å²	51.6	71%	0.711	31%	0.308	S	S	*	.	H	α-helix	trans	-63.7	-23.4	177	0	0	0	0	0	114.9	N72 L76 D77	N72-A74 PolarHBondContact O-N 3.08Å; A74-L76 VanDerWaalsContact C-N 3.33Å; A74-D77 WeakPolarHBondContact CA-OD2 3.45Å; A74-D77 PolarHBondContact N-OD2 3.32Å
75	D	75.8	Confident	76.2	Confident	43 Å²	43	55.9 Å²	55.9	23%	0.23	33%	0.327	C	S	.	.	H	α-helix	trans	-77.7	-23	170	-56.7	-77.2	0	0	0	111.3	K48 I49 N72 S73 T79	K48-D75 IonicContact NZ-OD1 2.89Å; K48-D75 PolarHBondContact NZ-OD1 2.98Å; K48-D75 IonicContact NZ-OD2 2.9Å; K48-D75 PolarHBondContact NZ-OD2 3.07Å; I49-D75 WeakPolarHBondContact CD1-O 3.49Å; N72-D75 WeakPolarHBondContact CB-OD2 3.23Å; N72-D75 PolarHBondContact N-OD2 3.21Å; N72-D75 WeakPolarHBondContact O-CA 3.27Å; N72-D75 WeakPolarHBondContact O-CB 3.34Å; N72-D75 PolarHBondContact O-N 3.37Å; S73-D75 VanDerWaalsContact C-N 3.25Å; S73-D75 PolarHBondContact O-N 2.04Å; D75-T79 PolarHBondContact O-OG1 3.03Å
76	L	76.7	Confident	76	Confident	31 Å²	31	57.1 Å²	57.1	16%	0.162	33%	0.332	C	S	.	.	H	α-helix	trans	-97.8	-19.7	-176.8	-57.6	172.4	0	0	0	113.9	I49 N72 S73 A74 N78 T79 F84 S103 I104	I49-L76 HydrophobicContact CD1-CD2 4.23Å; N72-L76 WeakPolarHBondContact O-CG 3.44Å; N72-L76 PolarHBondContact O-N 3.27Å; S73-L76 CarbonylContact O-C 3.59Å; S73-L76 VanDerWaalsContact O-CA 3.28Å; S73-L76 WeakPolarHBondContact O-CA 3.06Å; S73-L76 WeakPolarHBondContact O-CB 3.43Å; S73-L76 PolarHBondContact O-N 3.44Å; A74-L76 VanDerWaalsContact C-N 3.33Å; L76-N78 PolarHBondContact O-N 3.37Å; L76-T79 VanDerWaalsContact CA-OG1 3.27Å; L76-T79 WeakPolarHBondContact CA-OG1 3.38Å; L76-T79 PolarHBondContact O-N 3.33Å; L76-T79 PolarHBondContact O-OG1 3.47Å; L76-F84 HydrophobicContact CD2-CE2 3.87Å; L76-F84 HydrophobicContact CD2-CZ 3.63Å; L76-S103 WeakPolarHBondContact CD1-O 3.44Å; L76-I104 HydrophobicContact CD1-CG1 3.88Å; L76-I104 HydrophobicContact CD2-CG1 4.01Å
77	D	64.3	Low	75.7	Confident	124 Å²	124	57.1 Å²	57.1	66%	0.663	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	16.7	-170.6	-76.1	-31.8	0	0	0	114.8	S73 A74	S73-D77 VanDerWaalsContact C-OD2 3.27Å; S73-D77 WeakPolarHBondContact O-CB 3.27Å; S73-D77 PolarHBondContact O-N 3.45Å; S73-D77 VanDerWaalsContact O-OD2 3.14Å; A74-D77 WeakPolarHBondContact CA-OD2 3.45Å; A74-D77 PolarHBondContact N-OD2 3.32Å
78	N	54.7	Low	75.5	Confident	164 Å²	164	58.6 Å²	58.6	88%	0.877	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-148.3	14.7	171.8	-129.5	-13.1	0	0	0	112.9	L76	L76-N78 PolarHBondContact O-N 3.37Å
79	T	57.7	Low	75.4	Confident	53 Å²	53	59 Å²	59	33%	0.325	35%	0.348	S	S	.	.			trans	-127.8	114.2	-169.4	32	0	0	0	0	111.3	I49 D75 L76 T83	I49-T79 HydrophobicContact CD1-CG2 4.24Å; D75-T79 PolarHBondContact O-OG1 3.03Å; L76-T79 VanDerWaalsContact CA-OG1 3.27Å; L76-T79 WeakPolarHBondContact CA-OG1 3.38Å; L76-T79 PolarHBondContact O-N 3.33Å; L76-T79 PolarHBondContact O-OG1 3.47Å; T79-T83 WeakPolarHBondContact CB-OG1 3.47Å; T79-T83 HydrophobicContact CG2-CG2 3.54Å; T79-T83 WeakPolarHBondContact CG2-OG1 3.17Å
80	S	54.1	Low	75.6	Confident	76 Å²	76	57.6 Å²	57.6	53%	0.531	34%	0.339	S	S	.	.			trans	-70.4	164.8	174.2	56.1	0	0	0	0	111.3	S82 T83	S80-S82 PolarHBondContact O-N 2.79Å; S80-S82 PolarHBondContact OG-OG 3.1Å; S80-T83 PolarHBondContact N-OG1 3.01Å; S80-T83 WeakPolarHBondContact O-CB 3.33Å; S80-T83 PolarHBondContact O-N 2.65Å; S80-T83 PolarHBondContact O-OG1 2.95Å
81	L	53.3	Low	75.8	Confident	133 Å²	133	57.4 Å²	57.4	70%	0.696	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-52.2	-31.4	-179.1	-159.7	79.7	0	0	0	113.6	T83 F84 N106	L81-T83 PolarHBondContact O-N 3.45Å; L81-F84 PolarHBondContact O-N 3.08Å; L81-N106 HydrophobicContact CD1-CB 4.22Å
82	S	58.9	Low	76.1	Confident	84 Å²	84	58 Å²	58	59%	0.587	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-59.9	-17.2	175	58	0	0	0	0	114.3	S80 F84 N85	S80-S82 PolarHBondContact O-N 2.79Å; S80-S82 PolarHBondContact OG-OG 3.1Å; S82-F84 VanDerWaalsContact C-N 3.26Å; S82-F84 PolarHBondContact O-N 3.05Å; S82-N85 WeakPolarHBondContact O-CB 3.38Å; S82-N85 PolarHBondContact O-N 3.1Å; S82-N85 VanDerWaalsContact O-N 3.17Å
83	T	66.3	Low	76.5	Confident	30 Å²	30	54.6 Å²	54.6	18%	0.184	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-57.5	-39.2	177.1	-58.2	0	0	0	0	111.8	I49 T79 S80 L81 N85 F86	I49-T83 HydrophobicContact CD1-CG2 4.32Å; I49-T83 HydrophobicContact CG2-CG2 3.51Å; T79-T83 WeakPolarHBondContact CB-OG1 3.47Å; T79-T83 HydrophobicContact CG2-CG2 3.54Å; T79-T83 WeakPolarHBondContact CG2-OG1 3.17Å; S80-T83 PolarHBondContact N-OG1 3.01Å; S80-T83 WeakPolarHBondContact O-CB 3.33Å; S80-T83 PolarHBondContact O-N 2.65Å; S80-T83 PolarHBondContact O-OG1 2.95Å; L81-T83 PolarHBondContact O-N 3.45Å; T83-N85 VanDerWaalsContact C-N 3.32Å; T83-F86 WeakPolarHBondContact O-CD1 3.49Å; T83-F86 WeakPolarHBondContact O-CE1 3.46Å
84	F	78.9	Confident	77	Confident	24 Å²	24	52.2 Å²	52.2	11%	0.105	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-86.6	-1.2	-178.7	-66.2	-58.4	0	0	0	114	I49 L71 L76 L81 S82 F86 F87 I104 F107	I49-F84 HydrophobicContact CD1-CZ 4.32Å; L71-F84 HydrophobicContact CD1-CE1 4.07Å; L71-F84 HydrophobicContact CD1-CZ 4.18Å; L76-F84 HydrophobicContact CD2-CE2 3.87Å; L76-F84 HydrophobicContact CD2-CZ 3.63Å; L81-F84 PolarHBondContact O-N 3.08Å; S82-F84 VanDerWaalsContact C-N 3.26Å; S82-F84 PolarHBondContact O-N 3.05Å; F84-F86 PolarHBondContact O-N 3.27Å; F84-F87 HydrophobicContact CB-CD2 4.28Å; F84-F87 HydrophobicContact CD1-CD2 4.19Å; F84-F87 AromaticContact CD1-CE2 3.89Å; F84-F87 HydrophobicContact CD1-CE2 3.89Å; F84-F87 WeakPolarHBondContact O-CB 3.23Å; F84-F87 WeakPolarHBondContact O-CD2 3.36Å; F84-F87 PolarHBondContact O-N 2.93Å; F84-I104 HydrophobicContact CE1-CD1 4.2Å; F84-I104 HydrophobicContact CE2-CD1 3.88Å; F84-I104 HydrophobicContact CE2-CG1 4.15Å; F84-I104 HydrophobicContact CE2-CG2 4.49Å; F84-I104 HydrophobicContact CZ-CD1 3.6Å; F84-I104 HydrophobicContact CZ-CG1 4.14Å; F84-F107 HydrophobicContact CB-CD2 4.12Å; F84-F107 HydrophobicContact CB-CE2 3.88Å; F84-F107 HydrophobicContact CD1-CE2 4.1Å; F84-F107 HydrophobicContact CD2-CD2 4.34Å; F84-F107 HydrophobicContact CG-CD2 4.07Å; F84-F107 AromaticContact CG-CE2 3.96Å; F84-F107 HydrophobicContact CG-CE2 3.96Å
85	N	84	Confident	77.7	Confident	105 Å²	105	48.1 Å²	48.1	56%	0.561	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-63.9	-14.2	-176.7	-163.3	26.6	0	0	0	113.4	S82 T83 F87 S88	S82-N85 WeakPolarHBondContact O-CB 3.38Å; S82-N85 PolarHBondContact O-N 3.1Å; S82-N85 VanDerWaalsContact O-N 3.17Å; T83-N85 VanDerWaalsContact C-N 3.32Å; N85-F87 PolarHBondContact O-N 2.87Å; N85-S88 VanDerWaalsContact O-CB 3.3Å; N85-S88 WeakPolarHBondContact O-CB 3.48Å; N85-S88 PolarHBondContact O-N 2.93Å; N85-S88 VanDerWaalsContact O-N 3.13Å; N85-S88 PolarHBondContact O-OG 2.87Å; N85-S88 PolarHBondContact OD1-OG 2.84Å
86	F	85.8	Confident	78.6	Confident	25 Å²	25	46.6 Å²	46.6	11%	0.11	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-65.3	-22.4	172	65.8	-101.1	0	0	0	113.2	L52 R53 A57 T83 F84 S88	L52-F86 HydrophobicContact CB-CE2 4.25Å; L52-F86 HydrophobicContact CB-CZ 3.92Å; R53-F86 HydrophobicContact CB-CD1 3.95Å; R53-F86 HydrophobicContact CB-CE1 3.79Å; R53-F86 HydrophobicContact CB-CE2 4.38Å; R53-F86 HydrophobicContact CB-CG 4.33Å; R53-F86 HydrophobicContact CB-CZ 4.03Å; R53-F86 HydrophobicContact CG-CB 4.46Å; R53-F86 HydrophobicContact CG-CD1 3.82Å; R53-F86 HydrophobicContact CG-CE1 4.2Å; R53-F86 HydrophobicContact CG-CG 4.07Å; A57-F86 HydrophobicContact CB-CB 3.91Å; A57-F86 HydrophobicContact CB-CG 4.49Å; T83-F86 WeakPolarHBondContact O-CD1 3.49Å; T83-F86 WeakPolarHBondContact O-CE1 3.46Å; F84-F86 PolarHBondContact O-N 3.27Å; F86-S88 VanDerWaalsContact C-N 3.3Å
87	F	89	Confident	79.5	Confident	1 Å²	1	45.2 Å²	45.2	0%	0.004	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-76	-14.5	173.3	-68.6	-66.5	0	0	0	113.6	L52 Y56 L66 I68 F84 N85 G89 I90 F107 L109	L52-F87 HydrophobicContact CB-CZ 4.25Å; L52-F87 HydrophobicContact CD1-CZ 4.46Å; Y56-F87 AromaticContact CD2-CE1 3.64Å; Y56-F87 HydrophobicContact CD2-CE1 3.64Å; Y56-F87 HydrophobicContact CD2-CZ 4.28Å; Y56-F87 HydrophobicContact CE2-CE1 4.44Å; Y56-F87 HydrophobicContact CG-CD1 4.36Å; Y56-F87 AromaticContact CG-CE1 3.79Å; Y56-F87 HydrophobicContact CG-CE1 3.79Å; L66-F87 HydrophobicContact CD1-CD1 4.16Å; L66-F87 HydrophobicContact CD1-CE1 3.71Å; I68-F87 HydrophobicContact CD1-CE1 4.07Å; I68-F87 HydrophobicContact CD1-CE2 3.9Å; I68-F87 HydrophobicContact CD1-CZ 3.65Å; I68-F87 HydrophobicContact CG1-CE1 4.38Å; I68-F87 HydrophobicContact CG1-CZ 3.9Å; F84-F87 HydrophobicContact CB-CD2 4.28Å; F84-F87 HydrophobicContact CD1-CD2 4.19Å; F84-F87 AromaticContact CD1-CE2 3.89Å; F84-F87 HydrophobicContact CD1-CE2 3.89Å; F84-F87 WeakPolarHBondContact O-CB 3.23Å; F84-F87 WeakPolarHBondContact O-CD2 3.36Å; F84-F87 PolarHBondContact O-N 2.93Å; N85-F87 PolarHBondContact O-N 2.87Å; F87-G89 PolarHBondContact O-N 3.38Å; F87-I90 HydrophobicContact CD1-CD1 3.86Å; F87-I90 PolarHBondContact O-N 2.82Å; F87-I90 VanDerWaalsContact O-N 3.1Å; F87-F107 HydrophobicContact CB-CZ 4.4Å; F87-F107 AromaticContact CD2-CE2 3.63Å; F87-F107 HydrophobicContact CD2-CE2 3.63Å; F87-F107 AromaticContact CD2-CZ 3.63Å; F87-F107 HydrophobicContact CD2-CZ 3.63Å; F87-F107 AromaticContact CE2-CE2 3.93Å; F87-F107 HydrophobicContact CE2-CE2 3.93Å; F87-F107 AromaticContact CE2-CZ 3.98Å; F87-F107 HydrophobicContact CE2-CZ 3.98Å; F87-F107 HydrophobicContact CG-CE2 4.48Å; F87-F107 HydrophobicContact CG-CZ 4.09Å; F87-L109 HydrophobicContact CB-CD2 3.63Å; F87-L109 HydrophobicContact CG-CD2 4.26Å
88	S	87.9	Confident	81	Confident	35 Å²	35	39.3 Å²	39.3	25%	0.245	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-61.6	-13.5	174.5	70.1	0	0	0	0	113	N85 F86 I90 R111	N85-S88 VanDerWaalsContact O-CB 3.3Å; N85-S88 WeakPolarHBondContact O-CB 3.48Å; N85-S88 PolarHBondContact O-N 2.93Å; N85-S88 VanDerWaalsContact O-N 3.13Å; N85-S88 PolarHBondContact O-OG 2.87Å; N85-S88 PolarHBondContact OD1-OG 2.84Å; F86-S88 VanDerWaalsContact C-N 3.3Å; S88-I90 VanDerWaalsContact C-N 3.31Å; S88-I90 PolarHBondContact O-N 3.19Å; S88-R111 VanDerWaalsContact O-CZ 3.25Å; S88-R111 PolarHBondContact O-NE 2.84Å; S88-R111 PolarHBondContact O-NH2 2.9Å
89	G	89.7	Confident	82.9	Confident	10 Å²	10	31.6 Å²	31.6	10%	0.103	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-56.4	-38.9	169.8	0	0	0	0	0	114.2	C59 T60 F87 R111	C59-G89 CarbonylContact O-C 3.08Å; C59-G89 WeakPolarHBondContact O-CA 3.35Å; T60-G89 WeakPolarHBondContact CA-O 3.47Å; F87-G89 PolarHBondContact O-N 3.38Å; G89-R111 VanDerWaalsContact CA-NH2 3.25Å; G89-R111 PolarHBondContact O-NH2 3.12Å
90	I	93.2	Very high	84.5	Confident	0 Å²	0	29 Å²	29	0%	0	17%	0.169	C	C	.	.			trans	-82.1	126.1	-157.5	-57.9	172.2	0	0	0	111.6	Y56 C59 V62 L66 F87 S88 V93 R111 L112	Y56-I90 HydrophobicContact CD1-CD1 4.35Å; C59-I90 HydrophobicContact CB-CG1 4.49Å; C59-I90 WeakPolarHBondContact O-CA 3.17Å; C59-I90 WeakPolarHBondContact O-CG1 3.43Å; C59-I90 PolarHBondContact O-N 2.97Å; V62-I90 HydrophobicContact CG2-CD1 3.87Å; V62-I90 HydrophobicContact CG2-CG1 4.2Å; V62-I90 HydrophobicContact CG2-CG2 3.95Å; L66-I90 HydrophobicContact CD1-CD1 4.18Å; L66-I90 HydrophobicContact CD2-CD1 4.13Å; F87-I90 HydrophobicContact CD1-CD1 3.86Å; F87-I90 PolarHBondContact O-N 2.82Å; F87-I90 VanDerWaalsContact O-N 3.1Å; S88-I90 VanDerWaalsContact C-N 3.31Å; S88-I90 PolarHBondContact O-N 3.19Å; I90-V93 HydrophobicContact CG2-CG2 4.03Å; I90-R111 CarbonylContact O-C 3.26Å; I90-R111 VanDerWaalsContact O-C 3.28Å; I90-L112 HydrophobicContact CG2-CD1 4.17Å; I90-L112 WeakPolarHBondContact O-CA 3.48Å; I90-L112 PolarHBondContact O-N 2.87Å
91	E	92.6	Very high	86.3	Confident	44 Å²	44	28.1 Å²	28.1	21%	0.206	16%	0.156	C	C	.	.			trans	-113.9	-30.2	177.2	-50.9	-164.4	-166.7	0	0	112.5	T60 R111 R113 I114	T60-E91 PolarHBondContact O-N 2.83Å; E91-R111 WeakPolarHBondContact CA-O 3.37Å; E91-R111 HydrophobicContact CG-CB 4.09Å; E91-R111 IonicContact OE1-CZ 3.16Å; E91-R111 IonicContact OE1-NE 3.81Å; E91-R111 IonicContact OE1-NH1 2.71Å; E91-R111 PolarHBondContact OE1-NH1 3.28Å; E91-R111 IonicContact OE1-NH2 2.77Å; E91-R113 PolarHBondContact O-N 3.44Å; E91-R113 IonicContact OE2-CZ 2.84Å; E91-R113 IonicContact OE2-NH1 2.75Å; E91-R113 PolarHBondContact OE2-NH1 3.39Å; E91-R113 IonicContact OE2-NH2 3.18Å; E91-I114 PolarHBondContact O-N 3.02Å
92	E	92.3	Very high	88.1	Confident	14 Å²	14	22 Å²	22	7%	0.065	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	145.7	-179.4	-51	-168.2	-120.3	0	0	112.4	T60 I61 V62 I114 W116 R267	T60-E92 PolarHBondContact O-N 3.04Å; I61-E92 WeakPolarHBondContact CA-O 3.11Å; I61-E92 HydrophobicContact CG1-CB 4.2Å; I61-E92 HydrophobicContact CG1-CG 4.31Å; I61-E92 HydrophobicContact CG2-CB 4.2Å; V62-E92 PolarHBondContact N-O 2.86Å; E92-I114 HydrophobicContact CB-CG2 3.93Å; E92-I114 HydrophobicContact CG-CG2 3.71Å; E92-W116 PolarHBondContact OE2-NE1 3.09Å; E92-W116 VanDerWaalsContact OE2-NE1 3.08Å; E92-R267 IonicContact OE1-CZ 3.38Å; E92-R267 IonicContact OE1-NH1 3.74Å; E92-R267 PolarHBondContact OE1-NH1 3.45Å; E92-R267 IonicContact OE1-NH2 2.9Å; E92-R267 PolarHBondContact OE1-NH2 2.83Å
93	V	93.7	Very high	89.6	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	123.5	169	179.3	0	0	0	0	109.4	V62 L66 I90 V97 L112 I114 W116	V62-V93 HydrophobicContact CB-CB 4.4Å; V62-V93 HydrophobicContact CB-CG1 4.26Å; V62-V93 HydrophobicContact CB-CG2 4.05Å; V62-V93 HydrophobicContact CG1-CG1 4.39Å; V62-V93 HydrophobicContact CG2-CG2 4.17Å; L66-V93 HydrophobicContact CB-CG1 4.4Å; L66-V93 HydrophobicContact CB-CG2 4.27Å; L66-V93 HydrophobicContact CD2-CG2 4.39Å; I90-V93 HydrophobicContact CG2-CG2 4.03Å; V93-V97 HydrophobicContact CB-CG2 4.16Å; V93-V97 HydrophobicContact CG1-CG2 4.04Å; V93-V97 HydrophobicContact CG2-CG2 3.96Å; V93-L112 HydrophobicContact CG2-CD1 3.8Å; V93-I114 PolarHBondContact N-O 3.23Å; V93-I114 VanDerWaalsContact N-O 3.15Å; V93-W116 PolarHBondContact O-N 2.98Å
94	T	91.1	Very high	90.6	Very high	14 Å²	14	18.6 Å²	18.6	9%	0.086	10%	0.101	C	C	.	.	S	Bend	trans	-79.5	-39.3	-176.1	65.3	0	0	0	0	113.1	I61 V62 G64 W116 G117 D118	I61-T94 HydrophobicContact CG2-CG2 4.47Å; V62-T94 PolarHBondContact O-N 2.92Å; V62-T94 PolarHBondContact O-OG1 3.11Å; G64-T94 PolarHBondContact N-OG1 2.87Å; T94-W116 WeakPolarHBondContact O-CB 3.24Å; T94-G117 PolarHBondContact O-N 3Å; T94-G117 VanDerWaalsContact O-N 3.14Å; T94-D118 WeakPolarHBondContact O-CB 3.36Å; T94-D118 PolarHBondContact O-N 2.94Å
95	G	91.1	Very high	91	Very high	1 Å²	1	22 Å²	22	1%	0.01	12%	0.117	C	C	.	.	S	Bend	trans	-85.8	-128.8	175.4	0	0	0	0	0	112.7	G64 N65 G117 K119	G64-G95 VanDerWaalsContact O-CA 3.27Å; G64-G95 WeakPolarHBondContact O-CA 3.47Å; G64-G95 PolarHBondContact O-N 2.91Å; N65-G95 WeakPolarHBondContact OD1-CA 3.41Å; G95-G117 WeakPolarHBondContact O-CA 3.5Å; G95-G117 PolarHBondContact O-N 3.4Å; G95-G117 VanDerWaalsContact O-N 3.16Å; G95-K119 CarbonylContact C-O 3.29Å
96	Y	95.1	Very high	91.1	Very high	11 Å²	11	20.1 Å²	20.1	4%	0.043	11%	0.107	C	C	.	.			trans	-109.7	161.8	176.9	61.3	-101.7	0	0	0	113.2	N65 L66 E67 L98 K119 F121 S133	N65-Y96 CarbonylContact C-O 3.4Å; N65-Y96 VanDerWaalsContact CA-O 3.25Å; N65-Y96 WeakPolarHBondContact CA-O 3.38Å; N65-Y96 HydrophobicContact CB-CD1 4.12Å; N65-Y96 HydrophobicContact CB-CD2 3.79Å; N65-Y96 HydrophobicContact CB-CE1 3.96Å; N65-Y96 HydrophobicContact CB-CE2 3.57Å; N65-Y96 HydrophobicContact CB-CG 4.04Å; N65-Y96 WeakPolarHBondContact CB-O 3.45Å; N65-Y96 VanDerWaalsContact CG-CZ 3.5Å; N65-Y96 WeakPolarHBondContact OD1-CD1 3.4Å; N65-Y96 WeakPolarHBondContact OD1-CE1 3.39Å; N65-Y96 PolarHBondContact OD1-N 2.89Å; L66-Y96 PolarHBondContact N-O 2.79Å; E67-Y96 HydrophobicContact CG-CE2 4.06Å; E67-Y96 PolarHBondContact OE1-OH 2.97Å; Y96-L98 HydrophobicContact CD2-CB 3.83Å; Y96-L98 HydrophobicContact CE2-CB 3.76Å; Y96-L98 HydrophobicContact CE2-CD2 4.3Å; Y96-K119 HydrophobicContact CD1-CG 4.43Å; Y96-K119 HydrophobicContact CE1-CD 4.26Å; Y96-K119 HydrophobicContact CE1-CG 4.37Å; Y96-K119 PolarHBondContact N-O 3Å; Y96-F121 HydrophobicContact CD1-CB 3.85Å; Y96-F121 VanDerWaalsContact CD1-N 3.33Å; Y96-F121 HydrophobicContact CD2-CB 3.92Å; Y96-F121 HydrophobicContact CE1-CB 4.01Å; Y96-F121 HydrophobicContact CE1-CD2 4.27Å; Y96-F121 HydrophobicContact CE2-CB 4.11Å; Y96-F121 AromaticContact CE2-CD2 3.95Å; Y96-F121 HydrophobicContact CE2-CD2 3.95Å; Y96-F121 HydrophobicContact CE2-CG 4.41Å; Y96-F121 HydrophobicContact CG-CB 3.81Å; Y96-F121 AromaticContact CZ-CD2 3.8Å; Y96-S133 CarbonylContact C-O 3.52Å; Y96-S133 VanDerWaalsContact CA-O 3.26Å; Y96-S133 WeakPolarHBondContact CA-O 3.48Å; Y96-S133 WeakPolarHBondContact CB-O 3.48Å
97	V	96.5	Very high	91.3	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.006	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	119.3	167.2	-179.6	0	0	0	0	108.6	L66 V93 I99 L112 I115 S133 L134 L135	L66-V97 HydrophobicContact CB-CG1 4.49Å; L66-V97 HydrophobicContact CB-CG2 4.23Å; L66-V97 HydrophobicContact CD2-CG1 4.2Å; L66-V97 HydrophobicContact CD2-CG2 4.39Å; L66-V97 HydrophobicContact CG-CG1 4.38Å; L66-V97 WeakPolarHBondContact O-CA 3.34Å; V93-V97 HydrophobicContact CB-CG2 4.16Å; V93-V97 HydrophobicContact CG1-CG2 4.04Å; V93-V97 HydrophobicContact CG2-CG2 3.96Å; V97-I99 HydrophobicContact CG1-CD1 4.15Å; V97-I99 HydrophobicContact CG1-CG1 4.04Å; V97-L112 HydrophobicContact CG2-CD2 4.43Å; V97-I115 HydrophobicContact CB-CD1 4.15Å; V97-I115 HydrophobicContact CG2-CD1 3.59Å; V97-I115 HydrophobicContact CG2-CG1 3.91Å; V97-I115 HydrophobicContact CG2-CG2 4.37Å; V97-S133 PolarHBondContact N-O 2.69Å; V97-L134 HydrophobicContact CB-CD1 3.77Å; V97-L134 HydrophobicContact CG1-CD1 3.78Å; V97-L134 WeakPolarHBondContact O-CA 3.42Å; V97-L135 PolarHBondContact O-N 2.8Å
98	L	94.9	Very high	91.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	115.2	179	174.8	64.3	0	0	0	109.5	G38 L39 L66 E67 I68 T69 Y96 A100 F121 L135	G38-L98 WeakPolarHBondContact O-CD2 3.4Å; L39-L98 HydrophobicContact CD2-CD1 4.45Å; L39-L98 HydrophobicContact CD2-CD2 4.3Å; L66-L98 PolarHBondContact O-N 2.83Å; E67-L98 WeakPolarHBondContact CA-O 3.46Å; E67-L98 HydrophobicContact CG-CB 4.38Å; I68-L98 PolarHBondContact N-O 2.83Å; T69-L98 HydrophobicContact CG2-CD2 4.08Å; T69-L98 HydrophobicContact CG2-CG 4.08Å; Y96-L98 HydrophobicContact CD2-CB 3.83Å; Y96-L98 HydrophobicContact CE2-CB 3.76Å; Y96-L98 HydrophobicContact CE2-CD2 4.3Å; L98-A100 HydrophobicContact CD1-CB 4.05Å; L98-A100 HydrophobicContact CG-CB 4.47Å; L98-F121 HydrophobicContact CD1-CE1 4.5Å; L98-F121 HydrophobicContact CD2-CD2 4.09Å; L98-F121 HydrophobicContact CD2-CE2 3.91Å; L98-F121 HydrophobicContact CD2-CZ 4.35Å; L98-L135 HydrophobicContact CD1-CB 4.01Å; L98-L135 HydrophobicContact CD1-CD2 3.85Å; L98-L135 HydrophobicContact CD1-CG 4.03Å
99	I	94.2	Very high	91.6	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.01	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	100.1	177	-51.7	177.6	0	0	0	108	I68 V97 F107 L135 V136 L137 N139 F141 L144	I68-I99 HydrophobicContact CB-CG1 4.48Å; I68-I99 HydrophobicContact CB-CG2 4.38Å; I68-I99 WeakPolarHBondContact O-CA 3.28Å; V97-I99 HydrophobicContact CG1-CD1 4.15Å; V97-I99 HydrophobicContact CG1-CG1 4.04Å; I99-F107 HydrophobicContact CD1-CE1 4.4Å; I99-L135 PolarHBondContact N-O 3.2Å; I99-V136 CarbonylContact O-C 3.49Å; I99-V136 VanDerWaalsContact O-CA 3.32Å; I99-V136 WeakPolarHBondContact O-CA 3.41Å; I99-L137 PolarHBondContact O-N 3.09Å; I99-N139 PolarHBondContact O-ND2 3.22Å; I99-F141 HydrophobicContact CG2-CE2 3.53Å; I99-F141 HydrophobicContact CG2-CZ 3.58Å; I99-L144 HydrophobicContact CD1-CD1 4.36Å; I99-L144 HydrophobicContact CD1-CD2 4.44Å
100	A	92.7	Very high	91.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	139.9	-169.5	0	0	0	0	0	115.7	L39 I68 T69 Y70 L98 N102 L137	L39-A100 HydrophobicContact CD2-CB 3.62Å; I68-A100 PolarHBondContact O-N 2.8Å; T69-A100 WeakPolarHBondContact CA-O 3.36Å; T69-A100 HydrophobicContact CG2-CB 4.1Å; Y70-A100 PolarHBondContact N-O 3.32Å; Y70-A100 VanDerWaalsContact N-O 3.1Å; L98-A100 HydrophobicContact CD1-CB 4.05Å; L98-A100 HydrophobicContact CG-CB 4.47Å; A100-N102 VanDerWaalsContact C-N 3.35Å; A100-N102 PolarHBondContact N-ND2 3.38Å; A100-N102 PolarHBondContact O-N 3.24Å; A100-N102 PolarHBondContact O-ND2 2.87Å; A100-L137 CarbonylContact C-O 3.58Å; A100-L137 WeakPolarHBondContact CA-O 3.19Å; A100-L137 HydrophobicContact CB-CB 3.97Å
101	H	91.9	Very high	91.7	Very high	56 Å²	56	26.3 Å²	26.3	26%	0.259	14%	0.135	S	C	.	.	S	Bend	trans	58.9	36.4	175.8	-55.5	-83	0	0	0	114.8	Y70 L137 N138 N139	Y70-H101 WeakPolarHBondContact CA-O 3.29Å; Y70-H101 HydrophobicContact CD1-CB 3.59Å; Y70-H101 HydrophobicContact CE1-CB 3.64Å; Y70-H101 AromaticContact CE1-CD2 3.73Å; Y70-H101 AromaticContact CE1-CG 3.67Å; Y70-H101 HydrophobicContact CG-CB 4.36Å; Y70-H101 AromaticContact CZ-CD2 3.85Å; H101-L137 PolarHBondContact N-O 3.29Å; H101-N138 VanDerWaalsContact CA-O 3.3Å; H101-N138 WeakPolarHBondContact CA-O 3.44Å; H101-N138 PolarHBondContact N-O 3.26Å; H101-N138 PolarHBondContact ND1-ND2 2.9Å; H101-N138 VanDerWaalsContact ND1-ND2 3.12Å; H101-N139 PolarHBondContact N-OD1 3.01Å
102	N	90.6	Very high	91.9	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.021	13%	0.125	C	C	.	.			trans	-101.5	141.5	178.4	-53.2	-73	0	0	0	112.8	I68 Y70 L71 A100 I104 N139 A140	I68-N102 PolarHBondContact O-ND2 2.92Å; Y70-N102 PolarHBondContact N-OD1 2.72Å; L71-N102 HydrophobicContact CB-CB 4.33Å; L71-N102 WeakPolarHBondContact CB-OD1 3.26Å; L71-N102 WeakPolarHBondContact CG-OD1 3.45Å; L71-N102 PolarHBondContact N-OD1 3.48Å; L71-N102 CarbonylContact O-C 3.4Å; L71-N102 WeakPolarHBondContact O-CA 3.23Å; A100-N102 VanDerWaalsContact C-N 3.35Å; A100-N102 PolarHBondContact N-ND2 3.38Å; A100-N102 PolarHBondContact O-N 3.24Å; A100-N102 PolarHBondContact O-ND2 2.87Å; N102-I104 HydrophobicContact CB-CD1 4.24Å; N102-I104 HydrophobicContact CB-CG1 4.24Å; N102-I104 PolarHBondContact O-N 2.88Å; N102-N139 WeakPolarHBondContact CB-OD1 3.37Å; N102-N139 PolarHBondContact N-OD1 3.26Å; N102-N139 PolarHBondContact ND2-OD1 3.32Å; N102-N139 CarbonylContact O-C 3.57Å; N102-N139 VanDerWaalsContact O-CA 3.26Å; N102-N139 WeakPolarHBondContact O-CA 3.36Å; N102-A140 PolarHBondContact O-N 2.86Å
103	S	89.6	Confident	91.9	Very high	35 Å²	35	25.4 Å²	25.4	25%	0.245	13%	0.129	C	C	.	.			trans	-85.7	19	172	-54.1	0	0	0	0	113.3	L71 S73 L76	L71-S103 PolarHBondContact O-N 3.46Å; S73-S103 PolarHBondContact N-OG 3.46Å; L76-S103 WeakPolarHBondContact CD1-O 3.44Å
104	I	87.6	Confident	91.9	Very high	8 Å²	8	25.4 Å²	25.4	4%	0.041	13%	0.129	C	C	.	.			trans	-79.2	131.7	177.5	-58.2	166.9	0	0	0	108.9	L71 L76 F84 N102 N106 F107 A140 F141	L71-I104 HydrophobicContact CD1-CD1 3.77Å; L76-I104 HydrophobicContact CD1-CG1 3.88Å; L76-I104 HydrophobicContact CD2-CG1 4.01Å; F84-I104 HydrophobicContact CE1-CD1 4.2Å; F84-I104 HydrophobicContact CE2-CD1 3.88Å; F84-I104 HydrophobicContact CE2-CG1 4.15Å; F84-I104 HydrophobicContact CE2-CG2 4.49Å; F84-I104 HydrophobicContact CZ-CD1 3.6Å; F84-I104 HydrophobicContact CZ-CG1 4.14Å; N102-I104 HydrophobicContact CB-CD1 4.24Å; N102-I104 HydrophobicContact CB-CG1 4.24Å; N102-I104 PolarHBondContact O-N 2.88Å; I104-N106 VanDerWaalsContact CG2-O 3.32Å; I104-N106 WeakPolarHBondContact CG2-O 3.46Å; I104-F107 HydrophobicContact CG2-CB 4.1Å; I104-A140 CarbonylContact O-C 3.57Å; I104-A140 VanDerWaalsContact O-C 3.27Å; I104-F141 HydrophobicContact CB-CD1 4.41Å; I104-F141 HydrophobicContact CB-CE1 3.79Å; I104-F141 HydrophobicContact CG2-CD1 4.38Å; I104-F141 HydrophobicContact CG2-CE1 3.82Å; I104-F141 WeakPolarHBondContact O-CD1 3.37Å; I104-F141 PolarHBondContact O-N 3.33Å
105	H	87.2	Confident	92.1	Very high	97 Å²	97	24.8 Å²	24.8	45%	0.449	13%	0.125	S	C	.	.	S	Bend	trans	-86.3	-45.6	175	-68.1	-66.1	0	0	0	112.9	A140 F141 E142 H143	H105-A140 PolarHBondContact ND1-O 2.81Å; H105-F141 CarbonylContact O-C 3.6Å; H105-F141 WeakPolarHBondContact O-CA 3.28Å; H105-E142 PolarHBondContact O-N 3.08Å; H105-H143 PolarHBondContact O-N 3.4Å; H105-H143 VanDerWaalsContact O-N 3.17Å
106	N	87.4	Confident	92.2	Very high	65 Å²	65	24.8 Å²	24.8	35%	0.348	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	123.5	-176.3	-62.4	-13.1	0	0	0	110.2	L81 I104 H143	L81-N106 HydrophobicContact CD1-CB 4.22Å; I104-N106 VanDerWaalsContact CG2-O 3.32Å; I104-N106 WeakPolarHBondContact CG2-O 3.46Å; N106-H143 WeakPolarHBondContact CA-O 3.25Å; N106-H143 PolarHBondContact OD1-CD2 3.39Å; N106-H143 VanDerWaalsContact OD1-CD2 3.3Å
107	F	89.3	Confident	92	Very high	12 Å²	12	24.2 Å²	24.2	5%	0.053	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	151.9	177.2	-172.8	-103.2	0	0	0	110.1	I68 F84 F87 I99 I104 L109 F141 H143 L144 G145	I68-F107 HydrophobicContact CD1-CE1 3.73Å; I68-F107 HydrophobicContact CD1-CE2 4.12Å; I68-F107 HydrophobicContact CD1-CZ 3.33Å; F84-F107 HydrophobicContact CB-CD2 4.12Å; F84-F107 HydrophobicContact CB-CE2 3.88Å; F84-F107 HydrophobicContact CD1-CE2 4.1Å; F84-F107 HydrophobicContact CD2-CD2 4.34Å; F84-F107 HydrophobicContact CG-CD2 4.07Å; F84-F107 AromaticContact CG-CE2 3.96Å; F84-F107 HydrophobicContact CG-CE2 3.96Å; F87-F107 HydrophobicContact CB-CZ 4.4Å; F87-F107 AromaticContact CD2-CE2 3.63Å; F87-F107 HydrophobicContact CD2-CE2 3.63Å; F87-F107 AromaticContact CD2-CZ 3.63Å; F87-F107 HydrophobicContact CD2-CZ 3.63Å; F87-F107 AromaticContact CE2-CE2 3.93Å; F87-F107 HydrophobicContact CE2-CE2 3.93Å; F87-F107 AromaticContact CE2-CZ 3.98Å; F87-F107 HydrophobicContact CE2-CZ 3.98Å; F87-F107 HydrophobicContact CG-CE2 4.48Å; F87-F107 HydrophobicContact CG-CZ 4.09Å; I99-F107 HydrophobicContact CD1-CE1 4.4Å; I104-F107 HydrophobicContact CG2-CB 4.1Å; F107-L109 HydrophobicContact CE1-CD1 4.31Å; F107-L109 HydrophobicContact CE1-CD2 3.65Å; F107-L109 HydrophobicContact CE1-CG 3.74Å; F107-L109 HydrophobicContact CZ-CD2 3.73Å; F107-L109 HydrophobicContact CZ-CG 4.34Å; F107-F141 HydrophobicContact CB-CD1 4.34Å; F107-F141 HydrophobicContact CB-CE1 3.55Å; F107-F141 HydrophobicContact CB-CZ 4.14Å; F107-F141 HydrophobicContact CG-CE1 4.43Å; F107-H143 PolarHBondContact N-O 3.37Å; F107-L144 HydrophobicContact CB-CD1 4.13Å; F107-L144 HydrophobicContact CD1-CD1 3.61Å; F107-L144 HydrophobicContact CG-CD1 4.37Å; F107-L144 CarbonylContact O-C 3.47Å; F107-L144 VanDerWaalsContact O-CA 3.27Å; F107-L144 WeakPolarHBondContact O-CA 3.35Å; F107-G145 PolarHBondContact O-N 3.08Å
108	S	90.3	Very high	91.6	Very high	42 Å²	42	28 Å²	28	29%	0.294	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	142.9	177.9	-178.2	0	0	0	0	110.8	P110 G145	S108-P110 WeakPolarHBondContact O-CD 3.49Å; S108-G145 CarbonylContact C-O 3.58Å; S108-G145 VanDerWaalsContact CA-O 3.24Å; S108-G145 WeakPolarHBondContact CA-O 3.31Å; S108-G145 PolarHBondContact OG-O 3.31Å
109	L	93.4	Very high	91.2	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.161	C	C	.	.			trans	-113.5	77.8	167.8	-59.3	175.1	0	0	0	107.6	L66 F87 F107 R111 L112 G145 L146	L66-L109 HydrophobicContact CD2-CD1 3.76Å; F87-L109 HydrophobicContact CB-CD2 3.63Å; F87-L109 HydrophobicContact CG-CD2 4.26Å; F107-L109 HydrophobicContact CE1-CD1 4.31Å; F107-L109 HydrophobicContact CE1-CD2 3.65Å; F107-L109 HydrophobicContact CE1-CG 3.74Å; F107-L109 HydrophobicContact CZ-CD2 3.73Å; F107-L109 HydrophobicContact CZ-CG 4.34Å; L109-R111 PolarHBondContact O-N 3.18Å; L109-L112 HydrophobicContact CB-CB 3.89Å; L109-L112 HydrophobicContact CB-CD2 4.44Å; L109-L112 HydrophobicContact CD1-CD2 3.78Å; L109-L112 PolarHBondContact O-N 2.84Å; L109-G145 PolarHBondContact N-O 3.21Å; L109-L146 HydrophobicContact CB-CD2 3.74Å; L109-L146 HydrophobicContact CD1-CD2 4.04Å; L109-L146 HydrophobicContact CG-CD2 4.11Å
110	P	92.2	Very high	91.1	Very high	51 Å²	51	33.9 Å²	33.9	33%	0.331	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-14.6	-161.9	26.2	-36.7	0	0	0	114.7	S108 E148	S108-P110 WeakPolarHBondContact O-CD 3.49Å; P110-E148 WeakPolarHBondContact O-CG 3.45Å
111	R	93	Very high	91	Very high	94 Å²	94	34.8 Å²	34.8	36%	0.355	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.5	1.4	180	-63.6	-164.2	-67.6	149.6	7.9	114.7	S88 G89 I90 E91 L109 R113	S88-R111 VanDerWaalsContact O-CZ 3.25Å; S88-R111 PolarHBondContact O-NE 2.84Å; S88-R111 PolarHBondContact O-NH2 2.9Å; G89-R111 VanDerWaalsContact CA-NH2 3.25Å; G89-R111 PolarHBondContact O-NH2 3.12Å; I90-R111 CarbonylContact O-C 3.26Å; I90-R111 VanDerWaalsContact O-C 3.28Å; E91-R111 WeakPolarHBondContact CA-O 3.37Å; E91-R111 HydrophobicContact CG-CB 4.09Å; E91-R111 IonicContact OE1-CZ 3.16Å; E91-R111 IonicContact OE1-NE 3.81Å; E91-R111 IonicContact OE1-NH1 2.71Å; E91-R111 PolarHBondContact OE1-NH1 3.28Å; E91-R111 IonicContact OE1-NH2 2.77Å; L109-R111 PolarHBondContact O-N 3.18Å; R111-R113 PolarHBondContact O-N 3.37Å
112	L	94.9	Very high	90.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.188	C	C	.	.			trans	-68.4	107.7	-179.2	176.3	65.7	0	0	0	109.8	I90 V93 V97 L109 I115 L146 E148 L149	I90-L112 HydrophobicContact CG2-CD1 4.17Å; I90-L112 WeakPolarHBondContact O-CA 3.48Å; I90-L112 PolarHBondContact O-N 2.87Å; V93-L112 HydrophobicContact CG2-CD1 3.8Å; V97-L112 HydrophobicContact CG2-CD2 4.43Å; L109-L112 HydrophobicContact CB-CB 3.89Å; L109-L112 HydrophobicContact CB-CD2 4.44Å; L109-L112 HydrophobicContact CD1-CD2 3.78Å; L109-L112 PolarHBondContact O-N 2.84Å; L112-I115 HydrophobicContact CD2-CD1 4.22Å; L112-I115 HydrophobicContact CD2-CG1 4.16Å; L112-L146 HydrophobicContact CD2-CD2 4.43Å; L112-E148 CarbonylContact O-C 3.32Å; L112-L149 HydrophobicContact CG-CD1 4.32Å; L112-L149 WeakPolarHBondContact O-CA 3.44Å; L112-L149 WeakPolarHBondContact O-CB 3.25Å; L112-L149 PolarHBondContact O-N 3.22Å; L112-L149 VanDerWaalsContact O-N 3.14Å
113	R	93.4	Very high	89.8	Confident	40 Å²	40	41.1 Å²	41.1	15%	0.151	20%	0.198	C	C	.	.			trans	-95.4	-32.6	-176.5	-69.8	-177.4	-170.7	118.6	8.3	114.3	E91 R111 E148 R150 V151	E91-R113 PolarHBondContact O-N 3.44Å; E91-R113 IonicContact OE2-CZ 2.84Å; E91-R113 IonicContact OE2-NH1 2.75Å; E91-R113 PolarHBondContact OE2-NH1 3.39Å; E91-R113 IonicContact OE2-NH2 3.18Å; R111-R113 PolarHBondContact O-N 3.37Å; R113-E148 WeakPolarHBondContact CA-O 3.18Å; R113-E148 HydrophobicContact CG-CB 4.14Å; R113-E148 IonicContact NE-OE2 3.61Å; R113-E148 PolarHBondContact NE-OE2 3.12Å; R113-R150 PolarHBondContact O-N 3.26Å; R113-V151 PolarHBondContact O-N 3.05Å
114	I	93.3	Very high	88.6	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	139.6	-174	-170.5	157.4	0	0	0	112.9	E91 E92 V93 W116 V151 A249 A250	E91-I114 PolarHBondContact O-N 3.02Å; E92-I114 HydrophobicContact CB-CG2 3.93Å; E92-I114 HydrophobicContact CG-CG2 3.71Å; V93-I114 PolarHBondContact N-O 3.23Å; V93-I114 VanDerWaalsContact N-O 3.15Å; I114-W116 HydrophobicContact CD1-CD2 3.79Å; I114-W116 HydrophobicContact CD1-CE3 3.88Å; I114-W116 HydrophobicContact CD1-CH2 3.63Å; I114-W116 HydrophobicContact CD1-CZ2 3.51Å; I114-W116 HydrophobicContact CD1-CZ3 3.8Å; I114-W116 HydrophobicContact CG1-CD2 4.09Å; I114-W116 HydrophobicContact CG1-CG 4.41Å; I114-W116 HydrophobicContact CG1-CZ2 4.42Å; I114-V151 WeakPolarHBondContact CA-O 3.26Å; I114-V151 HydrophobicContact CD1-CG1 4.45Å; I114-A249 HydrophobicContact CD1-CB 3.96Å; I114-A250 HydrophobicContact CB-CB 4.08Å; I114-A250 HydrophobicContact CD1-CB 4.09Å
115	I	95.7	Very high	86.9	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	117.9	164.4	-54.7	170	0	0	0	106.7	V97 L112 L134 L149 V151 I152 H153	V97-I115 HydrophobicContact CB-CD1 4.15Å; V97-I115 HydrophobicContact CG2-CD1 3.59Å; V97-I115 HydrophobicContact CG2-CG1 3.91Å; V97-I115 HydrophobicContact CG2-CG2 4.37Å; L112-I115 HydrophobicContact CD2-CD1 4.22Å; L112-I115 HydrophobicContact CD2-CG1 4.16Å; I115-L134 HydrophobicContact CD1-CB 4.08Å; I115-L134 HydrophobicContact CD1-CD1 4.33Å; I115-L134 HydrophobicContact CD1-CD2 4.29Å; I115-L134 HydrophobicContact CD1-CG 4.47Å; I115-L149 HydrophobicContact CD1-CD1 4.41Å; I115-L149 HydrophobicContact CG1-CD1 4.24Å; I115-V151 PolarHBondContact N-O 3.39Å; I115-I152 HydrophobicContact CB-CG1 4.25Å; I115-I152 HydrophobicContact CD1-CD1 4.05Å; I115-I152 HydrophobicContact CD1-CG1 4.26Å; I115-I152 CarbonylContact O-C 3.29Å; I115-I152 WeakPolarHBondContact O-CA 3.37Å; I115-H153 PolarHBondContact O-N 2.84Å
116	W	92.9	Very high	85	Confident	1 Å²	1	47.5 Å²	47.5	0%	0.004	28%	0.276	C	S	.	.			trans	-78.2	-41.7	-174	-69.5	103.5	0	0	0	112.4	E92 V93 T94 I114 H153 D154 A249 C263 R301	E92-W116 PolarHBondContact OE2-NE1 3.09Å; E92-W116 VanDerWaalsContact OE2-NE1 3.08Å; V93-W116 PolarHBondContact O-N 2.98Å; T94-W116 WeakPolarHBondContact O-CB 3.24Å; I114-W116 HydrophobicContact CD1-CD2 3.79Å; I114-W116 HydrophobicContact CD1-CE3 3.88Å; I114-W116 HydrophobicContact CD1-CH2 3.63Å; I114-W116 HydrophobicContact CD1-CZ2 3.51Å; I114-W116 HydrophobicContact CD1-CZ3 3.8Å; I114-W116 HydrophobicContact CG1-CD2 4.09Å; I114-W116 HydrophobicContact CG1-CG 4.41Å; I114-W116 HydrophobicContact CG1-CZ2 4.42Å; W116-H153 HydrophobicContact CE3-CB 3.75Å; W116-H153 AromaticContact CE3-CG 3.72Å; W116-H153 HydrophobicContact CZ3-CB 4.26Å; W116-H153 AromaticContact CZ3-CG 3.9Å; W116-H153 AromaticContact CZ3-ND1 3.8Å; W116-D154 PolarHBondContact O-N 2.99Å; W116-A249 HydrophobicContact CH2-CB 3.34Å; W116-A249 HydrophobicContact CZ2-CB 4.14Å; W116-A249 HydrophobicContact CZ3-CB 3.99Å; W116-C263 WeakPolarHBondContact CH2-O 3.45Å; W116-C263 VanDerWaalsContact CZ2-O 3.28Å; W116-C263 WeakPolarHBondContact CZ2-O 3.49Å; W116-R301 VanDerWaalsContact CD2-CZ 3.49Å; W116-R301 VanDerWaalsContact CE3-CZ 3.41Å; W116-R301 VanDerWaalsContact CH2-NH2 3.27Å
117	G	91.2	Very high	83.1	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.294	C	S	.	.			trans	77.1	23.5	-179	0	0	0	0	0	113.6	T94 G95 K119 K120	T94-G117 PolarHBondContact O-N 3Å; T94-G117 VanDerWaalsContact O-N 3.14Å; G95-G117 WeakPolarHBondContact O-CA 3.5Å; G95-G117 PolarHBondContact O-N 3.4Å; G95-G117 VanDerWaalsContact O-N 3.16Å; G117-K119 CarbonylContact C-O 3.57Å; G117-K119 PolarHBondContact O-N 2.88Å; G117-K120 WeakPolarHBondContact O-CG 3.05Å; G117-K120 PolarHBondContact O-NZ 3.41Å
118	D	87.4	Confident	81.1	Confident	81 Å²	81	59.8 Å²	59.8	43%	0.433	34%	0.338	S	S	.	.	S	Bend	trans	-54.5	-43.4	175.4	-59.7	-24	0	0	0	109.4	T94 R301	T94-D118 WeakPolarHBondContact O-CB 3.36Å; T94-D118 PolarHBondContact O-N 2.94Å; D118-R301 IonicContact OD1-NH1 3.73Å; D118-R301 PolarHBondContact OD1-NH1 3.39Å; D118-R301 IonicContact OD2-NH1 2.99Å
119	K	87.2	Confident	79.5	Confident	86 Å²	86	60.3 Å²	60.3	37%	0.374	34%	0.337	S	S	.	.	S	Bend	trans	-105.4	137.2	161.2	-161.5	180	-166.6	-175.9	0	110.2	E36 G95 Y96 G117	E36-K119 VanDerWaalsContact OE1-CD 3.28Å; E36-K119 WeakPolarHBondContact OE1-CD 3.22Å; E36-K119 IonicContact OE1-NZ 2.72Å; E36-K119 PolarHBondContact OE1-NZ 2.99Å; E36-K119 IonicContact OE2-NZ 3.92Å; E36-K119 PolarHBondContact OE2-NZ 2.93Å; G95-K119 CarbonylContact C-O 3.29Å; Y96-K119 HydrophobicContact CD1-CG 4.43Å; Y96-K119 HydrophobicContact CE1-CD 4.26Å; Y96-K119 HydrophobicContact CE1-CG 4.37Å; Y96-K119 PolarHBondContact N-O 3Å; G117-K119 CarbonylContact C-O 3.57Å; G117-K119 PolarHBondContact O-N 2.88Å
120	K	91.8	Very high	78.1	Confident	38 Å²	38	61.3 Å²	61.3	17%	0.165	35%	0.347	C	S	.	.			trans	-118.6	137.3	177.9	-70.7	160.5	-75.7	-77.3	0	110.6	G117 Q131 F132 D154	G117-K120 WeakPolarHBondContact O-CG 3.05Å; G117-K120 PolarHBondContact O-NZ 3.41Å; K120-Q131 HydrophobicContact CB-CB 3.83Å; K120-Q131 HydrophobicContact CD-CB 4.07Å; K120-Q131 HydrophobicContact CG-CB 4.44Å; K120-F132 CarbonylContact C-O 3.44Å; K120-F132 WeakPolarHBondContact CA-O 3.31Å; K120-D154 WeakPolarHBondContact CE-OD2 3.48Å; K120-D154 IonicContact NZ-OD2 3.43Å; K120-D154 PolarHBondContact NZ-OD2 3.04Å
121	F	90.1	Very high	77.8	Confident	19 Å²	19	62.8 Å²	62.8	8%	0.083	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-72.4	134.9	175.8	-174.9	-98.8	0	0	0	110.7	L39 Y96 L98 P123 F132 L135	L39-F121 HydrophobicContact CD1-CE1 4.3Å; L39-F121 HydrophobicContact CD1-CZ 3.87Å; L39-F121 HydrophobicContact CG-CZ 3.82Å; Y96-F121 HydrophobicContact CD1-CB 3.85Å; Y96-F121 VanDerWaalsContact CD1-N 3.33Å; Y96-F121 HydrophobicContact CD2-CB 3.92Å; Y96-F121 HydrophobicContact CE1-CB 4.01Å; Y96-F121 HydrophobicContact CE1-CD2 4.27Å; Y96-F121 HydrophobicContact CE2-CB 4.11Å; Y96-F121 AromaticContact CE2-CD2 3.95Å; Y96-F121 HydrophobicContact CE2-CD2 3.95Å; Y96-F121 HydrophobicContact CE2-CG 4.41Å; Y96-F121 HydrophobicContact CG-CB 3.81Å; Y96-F121 AromaticContact CZ-CD2 3.8Å; L98-F121 HydrophobicContact CD1-CE1 4.5Å; L98-F121 HydrophobicContact CD2-CD2 4.09Å; L98-F121 HydrophobicContact CD2-CE2 3.91Å; L98-F121 HydrophobicContact CD2-CZ 4.35Å; F121-P123 HydrophobicContact CD1-CG 4.44Å; F121-P123 HydrophobicContact CE1-CB 4.49Å; F121-P123 HydrophobicContact CE1-CG 4.11Å; F121-F132 PolarHBondContact N-O 2.87Å; F121-F132 PolarHBondContact O-N 3.29Å; F121-L135 HydrophobicContact CD1-CD2 3.5Å; F121-L135 HydrophobicContact CE1-CD2 3.62Å
122	R	85.7	Confident	77.7	Confident	158 Å²	158	58.4 Å²	58.4	60%	0.596	33%	0.333	S	S	*	.			trans	-123.2	117.4	175.6	-62	-171.4	-175.4	102.3	5.1	108.9	Q131	R122-Q131 HydrophobicContact CG-CG 4.2Å; R122-Q131 VanDerWaalsContact NH2-CD 3.35Å
123	P	72.4	Confident	77.7	Confident	35 Å²	35	58.4 Å²	58.4	23%	0.227	33%	0.333	C	S	.	.			trans	-60.4	143.5	173.7	-22.4	33.9	0	0	0	111.4	F121 S125 I129 F132	F121-P123 HydrophobicContact CD1-CG 4.44Å; F121-P123 HydrophobicContact CE1-CB 4.49Å; F121-P123 HydrophobicContact CE1-CG 4.11Å; P123-S125 PolarHBondContact O-N 3.05Å; P123-I129 HydrophobicContact CG-CG2 4.14Å; P123-F132 HydrophobicContact CG-CD2 4.31Å; P123-F132 HydrophobicContact CG-CE2 4Å
124	A	63.3	Low	77.9	Confident	118 Å²	118	56.6 Å²	56.6	98%	0.975	33%	0.327	S	S	*	.	S	Bend	trans	-73.4	22.2	-172.5	0	0	0	0	0	115.5
125	S	53.8	Low	77.9	Confident	61 Å²	61	56.8 Å²	56.8	43%	0.427	33%	0.327	S	S	.	.	S	Bend	trans	-120.8	114.7	-177.4	52.7	0	0	0	0	109.6	P123 Q127	P123-S125 PolarHBondContact O-N 3.05Å; S125-Q127 PolarHBondContact O-N 3.24Å
126	G	45.6	Very low	77.9	Confident	95 Å²	95	56.8 Å²	56.8	98%	0.979	33%	0.327	S	S	*	.			trans	-68.3	34.9	-170.7	0	0	0	0	0	117.4
127	Q	47.7	Very low	77.9	Confident	153 Å²	153	57.9 Å²	57.9	72%	0.715	33%	0.333	S	S	*	.	S	Bend	trans	-89.6	158	161.4	-67.1	-177	-14	0	0	109	S125 I129	S125-Q127 PolarHBondContact O-N 3.24Å; Q127-I129 HydrophobicContact CB-CD1 4.42Å; Q127-I129 HydrophobicContact CB-CG1 4.12Å; Q127-I129 PolarHBondContact O-N 3.47Å
128	N	47.4	Very low	77.9	Confident	182 Å²	182	61.4 Å²	61.4	97%	0.973	35%	0.352	S	S	*	.			trans	-70.4	57.6	178.4	-78	-33.5	0	0	0	112.9
129	I	56.7	Low	78.2	Confident	54 Å²	54	57.9 Å²	57.9	28%	0.277	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-83.2	122.2	174.3	-52.8	175	0	0	0	107	P123 Q127 F132	P123-I129 HydrophobicContact CG-CG2 4.14Å; Q127-I129 HydrophobicContact CB-CD1 4.42Å; Q127-I129 HydrophobicContact CB-CG1 4.12Å; Q127-I129 PolarHBondContact O-N 3.47Å; I129-F132 HydrophobicContact CG2-CE2 3.69Å; I129-F132 HydrophobicContact CG2-CZ 3.82Å
130	G	63.9	Low	78.3	Confident	22 Å²	22	55.5 Å²	55.5	23%	0.227	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-53.8	149.5	-172.6	0	0	0	0	0	114.2	F132	G130-F132 WeakPolarHBondContact O-CD2 3.48Å; G130-F132 WeakPolarHBondContact O-CE2 3.47Å; G130-F132 PolarHBondContact O-N 3.25Å
131	Q	85.9	Confident	78.2	Confident	81 Å²	81	53.8 Å²	53.8	38%	0.379	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-75	118.1	179.1	-49.5	-175.4	12.8	0	0	109	K120 R122 S156	K120-Q131 HydrophobicContact CB-CB 3.83Å; K120-Q131 HydrophobicContact CD-CB 4.07Å; K120-Q131 HydrophobicContact CG-CB 4.44Å; R122-Q131 HydrophobicContact CG-CG 4.2Å; R122-Q131 VanDerWaalsContact NH2-CD 3.35Å; Q131-S156 WeakPolarHBondContact O-CB 3.38Å; Q131-S156 PolarHBondContact O-N 3.28Å; Q131-S156 PolarHBondContact O-OG 3.29Å
132	F	92	Very high	78.1	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.009	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	133	-170.7	-59.8	-72.3	0	0	0	112.5	K120 F121 P123 I129 G130 L135 S156 G158 Q186	K120-F132 CarbonylContact C-O 3.44Å; K120-F132 WeakPolarHBondContact CA-O 3.31Å; F121-F132 PolarHBondContact N-O 2.87Å; F121-F132 PolarHBondContact O-N 3.29Å; P123-F132 HydrophobicContact CG-CD2 4.31Å; P123-F132 HydrophobicContact CG-CE2 4Å; I129-F132 HydrophobicContact CG2-CE2 3.69Å; I129-F132 HydrophobicContact CG2-CZ 3.82Å; G130-F132 WeakPolarHBondContact O-CD2 3.48Å; G130-F132 WeakPolarHBondContact O-CE2 3.47Å; G130-F132 PolarHBondContact O-N 3.25Å; F132-L135 HydrophobicContact CB-CB 3.95Å; F132-L135 HydrophobicContact CD2-CB 4.43Å; F132-L135 HydrophobicContact CD2-CD1 4.1Å; F132-L135 HydrophobicContact CD2-CD2 4.01Å; F132-L135 HydrophobicContact CD2-CG 4.41Å; F132-L135 HydrophobicContact CE2-CD1 4.16Å; F132-L135 HydrophobicContact CE2-CD2 4.45Å; F132-L135 HydrophobicContact CG-CB 4.2Å; F132-L135 HydrophobicContact CG-CD1 4.28Å; F132-L135 HydrophobicContact CZ-CD1 4.42Å; F132-S156 CarbonylContact C-O 3.59Å; F132-S156 VanDerWaalsContact CA-O 3.3Å; F132-S156 WeakPolarHBondContact CA-O 3.44Å; F132-G158 VanDerWaalsContact CE1-CA 3.44Å; F132-Q186 HydrophobicContact CE1-CB 4.25Å; F132-Q186 HydrophobicContact CE1-CG 4.38Å
133	S	94.8	Very high	78.2	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-22.4	163.7	41.3	0	0	0	0	111.6	Y96 V97 I152 D154 G155 S156	Y96-S133 CarbonylContact C-O 3.52Å; Y96-S133 VanDerWaalsContact CA-O 3.26Å; Y96-S133 WeakPolarHBondContact CA-O 3.48Å; Y96-S133 WeakPolarHBondContact CB-O 3.48Å; V97-S133 PolarHBondContact N-O 2.69Å; S133-I152 WeakPolarHBondContact OG-CG2 3.48Å; S133-D154 WeakPolarHBondContact CB-O 3.34Å; S133-D154 PolarHBondContact OG-O 3Å; S133-G155 VanDerWaalsContact OG-C 3.23Å; S133-G155 WeakPolarHBondContact OG-CA 3.38Å; S133-S156 PolarHBondContact N-O 2.9Å
134	L	96.3	Very high	79.1	Confident	3 Å²	3	49.2 Å²	49.2	2%	0.016	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	115.8	168.1	175.2	58.5	0	0	0	109.1	V97 I115 V136 L146 I152 S156 I157 G158 W168	V97-L134 HydrophobicContact CB-CD1 3.77Å; V97-L134 HydrophobicContact CG1-CD1 3.78Å; V97-L134 WeakPolarHBondContact O-CA 3.42Å; I115-L134 HydrophobicContact CD1-CB 4.08Å; I115-L134 HydrophobicContact CD1-CD1 4.33Å; I115-L134 HydrophobicContact CD1-CD2 4.29Å; I115-L134 HydrophobicContact CD1-CG 4.47Å; L134-V136 HydrophobicContact CD1-CG2 4.1Å; L134-V136 HydrophobicContact CG-CG2 4.47Å; L134-L146 HydrophobicContact CD2-CD1 4.24Å; L134-I152 HydrophobicContact CB-CD1 3.94Å; L134-I152 HydrophobicContact CD2-CD1 3.86Å; L134-S156 PolarHBondContact N-O 3.23Å; L134-I157 HydrophobicContact CB-CG1 4.41Å; L134-I157 HydrophobicContact CD2-CG1 4.43Å; L134-I157 HydrophobicContact CD2-CG2 4.37Å; L134-I157 CarbonylContact O-C 3.54Å; L134-I157 WeakPolarHBondContact O-CA 3.21Å; L134-G158 PolarHBondContact O-N 3.26Å; L134-W168 HydrophobicContact CD2-CH2 4.09Å; L134-W168 HydrophobicContact CD2-CZ3 4.44Å
135	L	94.5	Very high	80.5	Confident	3 Å²	3	43.6 Å²	43.6	2%	0.016	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	115	175.5	-179.5	60.1	0	0	0	110.8	V97 L98 I99 F121 F132 L137 G158	V97-L135 PolarHBondContact O-N 2.8Å; L98-L135 HydrophobicContact CD1-CB 4.01Å; L98-L135 HydrophobicContact CD1-CD2 3.85Å; L98-L135 HydrophobicContact CD1-CG 4.03Å; I99-L135 PolarHBondContact N-O 3.2Å; F121-L135 HydrophobicContact CD1-CD2 3.5Å; F121-L135 HydrophobicContact CE1-CD2 3.62Å; F132-L135 HydrophobicContact CB-CB 3.95Å; F132-L135 HydrophobicContact CD2-CB 4.43Å; F132-L135 HydrophobicContact CD2-CD1 4.1Å; F132-L135 HydrophobicContact CD2-CD2 4.01Å; F132-L135 HydrophobicContact CD2-CG 4.41Å; F132-L135 HydrophobicContact CE2-CD1 4.16Å; F132-L135 HydrophobicContact CE2-CD2 4.45Å; F132-L135 HydrophobicContact CG-CB 4.2Å; F132-L135 HydrophobicContact CG-CD1 4.28Å; F132-L135 HydrophobicContact CZ-CD1 4.42Å; L135-L137 HydrophobicContact CD1-CB 4.36Å; L135-L137 HydrophobicContact CG-CB 4.23Å; L135-G158 CarbonylContact C-O 3.57Å; L135-G158 WeakPolarHBondContact CA-O 3.05Å
136	V	94.7	Very high	82.4	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	104	174.5	-171.5	0	0	0	0	108.1	I99 L134 N139 F141 L144 G158 V159 Q160 N162 M165 W168	I99-V136 CarbonylContact O-C 3.49Å; I99-V136 VanDerWaalsContact O-CA 3.32Å; I99-V136 WeakPolarHBondContact O-CA 3.41Å; L134-V136 HydrophobicContact CD1-CG2 4.1Å; L134-V136 HydrophobicContact CG-CG2 4.47Å; V136-N139 WeakPolarHBondContact CG1-ND2 3.37Å; V136-F141 HydrophobicContact CG1-CD2 4.05Å; V136-F141 HydrophobicContact CG1-CE2 4.02Å; V136-L144 HydrophobicContact CG1-CD2 3.85Å; V136-L144 HydrophobicContact CG2-CD2 3.86Å; V136-G158 PolarHBondContact N-O 2.86Å; V136-V159 HydrophobicContact CB-CG1 4.43Å; V136-V159 WeakPolarHBondContact O-CA 3.46Å; V136-Q160 PolarHBondContact O-N 3.4Å; V136-N162 PolarHBondContact O-ND2 3.42Å; V136-M165 HydrophobicContact CG1-CE 4.17Å; V136-M165 HydrophobicContact CG1-SD 4.15Å; V136-W168 HydrophobicContact CG2-CH2 4.22Å
137	L	92.7	Very high	84.7	Confident	25 Å²	25	37.1 Å²	37.1	13%	0.131	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	117.9	-168	176.3	64.8	0	0	0	113.3	L39 I99 A100 H101 L135 N139 Q160 L161	L39-L137 HydrophobicContact CD1-CD2 4.38Å; I99-L137 PolarHBondContact O-N 3.09Å; A100-L137 CarbonylContact C-O 3.58Å; A100-L137 WeakPolarHBondContact CA-O 3.19Å; A100-L137 HydrophobicContact CB-CB 3.97Å; H101-L137 PolarHBondContact N-O 3.29Å; L135-L137 HydrophobicContact CD1-CB 4.36Å; L135-L137 HydrophobicContact CG-CB 4.23Å; L137-N139 PolarHBondContact N-ND2 3.13Å; L137-N139 PolarHBondContact O-N 2.96Å; L137-N139 PolarHBondContact O-ND2 3.36Å; L137-Q160 CarbonylContact C-O 3.55Å; L137-Q160 WeakPolarHBondContact CA-O 3.48Å; L137-Q160 HydrophobicContact CD1-CB 3.72Å; L137-L161 HydrophobicContact CD1-CD1 4.11Å
138	N	92.7	Very high	86.8	Confident	73 Å²	73	32 Å²	32	39%	0.39	17%	0.174	S	C	.	.	S	Bend	trans	55.7	52.6	167.9	-171.9	67	0	0	0	113.5	H101 Q160 L161 N162	H101-N138 VanDerWaalsContact CA-O 3.3Å; H101-N138 WeakPolarHBondContact CA-O 3.44Å; H101-N138 PolarHBondContact N-O 3.26Å; H101-N138 PolarHBondContact ND1-ND2 2.9Å; H101-N138 VanDerWaalsContact ND1-ND2 3.12Å; N138-Q160 PolarHBondContact N-O 3.49Å; N138-L161 HydrophobicContact CB-CB 3.89Å; N138-L161 HydrophobicContact CB-CD1 4.2Å; N138-N162 PolarHBondContact N-OD1 2.97Å
139	N	92	Very high	89.1	Confident	8 Å²	8	23.6 Å²	23.6	4%	0.043	13%	0.129	C	C	.	.			trans	-107.2	158.9	175.3	-53.3	-83	0	0	0	111.6	I99 H101 N102 V136 L137 F141 N162	I99-N139 PolarHBondContact O-ND2 3.22Å; H101-N139 PolarHBondContact N-OD1 3.01Å; N102-N139 WeakPolarHBondContact CB-OD1 3.37Å; N102-N139 PolarHBondContact N-OD1 3.26Å; N102-N139 PolarHBondContact ND2-OD1 3.32Å; N102-N139 CarbonylContact O-C 3.57Å; N102-N139 VanDerWaalsContact O-CA 3.26Å; N102-N139 WeakPolarHBondContact O-CA 3.36Å; V136-N139 WeakPolarHBondContact CG1-ND2 3.37Å; L137-N139 PolarHBondContact N-ND2 3.13Å; L137-N139 PolarHBondContact O-N 2.96Å; L137-N139 PolarHBondContact O-ND2 3.36Å; N139-F141 HydrophobicContact CB-CD2 3.4Å; N139-F141 HydrophobicContact CB-CE2 3.55Å; N139-F141 HydrophobicContact CB-CG 4Å; N139-F141 HydrophobicContact CB-CZ 4.26Å; N139-F141 PolarHBondContact O-N 3.32Å; N139-N162 WeakPolarHBondContact CB-OD1 3.47Å; N139-N162 PolarHBondContact N-OD1 3.31Å; N139-N162 PolarHBondContact ND2-OD1 2.64Å
140	A	91.2	Very high	90.7	Very high	36 Å²	36	21.8 Å²	21.8	30%	0.298	12%	0.118	S	C	.	.			trans	-81.3	18.8	175.5	0	0	0	0	0	114.2	N102 I104 H105 E142	N102-A140 PolarHBondContact O-N 2.86Å; I104-A140 CarbonylContact O-C 3.57Å; I104-A140 VanDerWaalsContact O-C 3.27Å; H105-A140 PolarHBondContact ND1-O 2.81Å; A140-E142 PolarHBondContact O-N 2.03Å
141	F	89.4	Confident	92	Very high	1 Å²	1	21.5 Å²	21.5	0%	0.004	11%	0.112	C	C	.	.			trans	-62.4	131.9	-173.3	-68.8	-48.7	0	0	0	113	I99 I104 H105 F107 V136 N139 L144 R164 M165	I99-F141 HydrophobicContact CG2-CE2 3.53Å; I99-F141 HydrophobicContact CG2-CZ 3.58Å; I104-F141 HydrophobicContact CB-CD1 4.41Å; I104-F141 HydrophobicContact CB-CE1 3.79Å; I104-F141 HydrophobicContact CG2-CD1 4.38Å; I104-F141 HydrophobicContact CG2-CE1 3.82Å; I104-F141 WeakPolarHBondContact O-CD1 3.37Å; I104-F141 PolarHBondContact O-N 3.33Å; H105-F141 CarbonylContact O-C 3.6Å; H105-F141 WeakPolarHBondContact O-CA 3.28Å; F107-F141 HydrophobicContact CB-CD1 4.34Å; F107-F141 HydrophobicContact CB-CE1 3.55Å; F107-F141 HydrophobicContact CB-CZ 4.14Å; F107-F141 HydrophobicContact CG-CE1 4.43Å; V136-F141 HydrophobicContact CG1-CD2 4.05Å; V136-F141 HydrophobicContact CG1-CE2 4.02Å; N139-F141 HydrophobicContact CB-CD2 3.4Å; N139-F141 HydrophobicContact CB-CE2 3.55Å; N139-F141 HydrophobicContact CB-CG 4Å; N139-F141 HydrophobicContact CB-CZ 4.26Å; N139-F141 PolarHBondContact O-N 3.32Å; F141-L144 HydrophobicContact CD2-CB 4.37Å; F141-L144 HydrophobicContact CD2-CD2 4.15Å; F141-L144 HydrophobicContact CE2-CD1 4.39Å; F141-L144 HydrophobicContact CE2-CD2 4.05Å; F141-L144 HydrophobicContact CG-CB 4.4Å; F141-L144 HydrophobicContact CZ-CD1 4.34Å; F141-R164 CarbonylContact O-C 3.53Å; F141-M165 HydrophobicContact CB-SD 4.29Å; F141-M165 HydrophobicContact CD2-SD 4.36Å; F141-M165 PolarHBondContact O-N 3.26Å
142	E	86.9	Confident	92.3	Very high	64 Å²	64	17.7 Å²	17.7	30%	0.299	10%	0.095	S	C	.	.	S	Bend	trans	-99.8	-40.3	162.1	-54	-168.6	152.9	0	0	108.6	H105 A140 R164	H105-E142 PolarHBondContact O-N 3.08Å; A140-E142 PolarHBondContact O-N 2.03Å; E142-R164 HydrophobicContact CG-CB 4.07Å; E142-R164 VanDerWaalsContact OE1-CD 3.22Å; E142-R164 WeakPolarHBondContact OE1-CD 3.43Å; E142-R164 IonicContact OE1-CZ 3.12Å; E142-R164 IonicContact OE1-NE 3.04Å; E142-R164 IonicContact OE1-NH1 3.99Å; E142-R164 PolarHBondContact OE1-NH1 3.36Å
143	H	87.5	Confident	92.2	Very high	51 Å²	51	21.9 Å²	21.9	24%	0.236	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	128.2	175	-57.3	-69	0	0	0	112.5	H105 N106 F107 H167 P212	H105-H143 PolarHBondContact O-N 3.4Å; H105-H143 VanDerWaalsContact O-N 3.17Å; N106-H143 WeakPolarHBondContact CA-O 3.25Å; N106-H143 PolarHBondContact OD1-CD2 3.39Å; N106-H143 VanDerWaalsContact OD1-CD2 3.3Å; F107-H143 PolarHBondContact N-O 3.37Å; H143-H167 AromaticContact CE1-CE1 3.51Å; H143-H167 AromaticContact CE1-ND1 3.85Å; H143-H167 AromaticContact ND1-CE1 3.77Å; H143-H167 AromaticContact ND1-ND1 3.67Å; H143-P212 VanDerWaalsContact CE1-CD 3.49Å; H143-P212 WeakPolarHBondContact CE1-CD 3.5Å
144	L	91.9	Very high	92	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	93.3	170.8	178.3	58.9	0	0	0	109.5	I99 F107 V136 F141 M165 W168	I99-L144 HydrophobicContact CD1-CD1 4.36Å; I99-L144 HydrophobicContact CD1-CD2 4.44Å; F107-L144 HydrophobicContact CB-CD1 4.13Å; F107-L144 HydrophobicContact CD1-CD1 3.61Å; F107-L144 HydrophobicContact CG-CD1 4.37Å; F107-L144 CarbonylContact O-C 3.47Å; F107-L144 VanDerWaalsContact O-CA 3.27Å; F107-L144 WeakPolarHBondContact O-CA 3.35Å; V136-L144 HydrophobicContact CG1-CD2 3.85Å; V136-L144 HydrophobicContact CG2-CD2 3.86Å; F141-L144 HydrophobicContact CD2-CB 4.37Å; F141-L144 HydrophobicContact CD2-CD2 4.15Å; F141-L144 HydrophobicContact CE2-CD1 4.39Å; F141-L144 HydrophobicContact CE2-CD2 4.05Å; F141-L144 HydrophobicContact CG-CB 4.4Å; F141-L144 HydrophobicContact CZ-CD1 4.34Å; L144-M165 HydrophobicContact CB-CE 4.12Å; L144-M165 HydrophobicContact CD2-CE 3.73Å; L144-M165 HydrophobicContact CG-CE 4.45Å; L144-W168 HydrophobicContact CB-CZ2 4.28Å; L144-W168 HydrophobicContact CD2-CH2 4.11Å; L144-W168 HydrophobicContact CD2-CZ2 3.55Å; L144-W168 HydrophobicContact CG-CZ2 3.75Å; L144-W168 PolarHBondContact O-NE1 3.13Å
145	G	93	Very high	91.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	126	-175.8	0	0	0	0	0	113.1	F107 S108 L109 P147	F107-G145 PolarHBondContact O-N 3.08Å; S108-G145 CarbonylContact C-O 3.58Å; S108-G145 VanDerWaalsContact CA-O 3.24Å; S108-G145 WeakPolarHBondContact CA-O 3.31Å; S108-G145 PolarHBondContact OG-O 3.31Å; L109-G145 PolarHBondContact N-O 3.21Å; G145-P147 VanDerWaalsContact C-CD 3.46Å
146	L	94.9	Very high	91.6	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.016	14%	0.137	C	C	.	.			trans	-132.4	49.8	170.3	-57.8	175.7	0	0	0	111.1	L109 L112 L134 E148 L149 W168 W210	L109-L146 HydrophobicContact CB-CD2 3.74Å; L109-L146 HydrophobicContact CD1-CD2 4.04Å; L109-L146 HydrophobicContact CG-CD2 4.11Å; L112-L146 HydrophobicContact CD2-CD2 4.43Å; L134-L146 HydrophobicContact CD2-CD1 4.24Å; L146-E148 PolarHBondContact O-N 2.91Å; L146-L149 HydrophobicContact CB-CB 4.01Å; L146-L149 HydrophobicContact CB-CD2 4.34Å; L146-L149 HydrophobicContact CD1-CD2 3.95Å; L146-L149 VanDerWaalsContact O-CB 3.32Å; L146-L149 WeakPolarHBondContact O-CB 3.22Å; L146-L149 PolarHBondContact O-N 2.81Å; L146-W168 HydrophobicContact CD1-CH2 3.64Å; L146-W168 HydrophobicContact CD1-CZ2 3.55Å; L146-W168 HydrophobicContact CG-CZ2 4.16Å; L146-W210 HydrophobicContact CB-CD2 3.94Å; L146-W210 HydrophobicContact CB-CE3 3.81Å; L146-W210 HydrophobicContact CB-CH2 3.96Å; L146-W210 HydrophobicContact CB-CZ2 4.07Å; L146-W210 HydrophobicContact CB-CZ3 3.83Å; L146-W210 HydrophobicContact CD1-CE3 4.43Å; L146-W210 HydrophobicContact CD1-CH2 4.25Å; L146-W210 HydrophobicContact CD1-CZ3 3.87Å; L146-W210 HydrophobicContact CG-CE3 4.3Å; L146-W210 HydrophobicContact CG-CZ3 4.21Å; L146-W210 WeakPolarHBondContact O-CZ2 3.43Å; L146-W210 PolarHBondContact O-NE1 2.77Å; L146-W210 VanDerWaalsContact O-NE1 3.13Å
147	P	92.9	Very high	91.6	Very high	18 Å²	18	25.9 Å²	25.9	12%	0.117	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-45.9	-165.4	21.8	-33.8	0	0	0	114.5	G145 L149 N215	G145-P147 VanDerWaalsContact C-CD 3.46Å; P147-L149 VanDerWaalsContact C-N 3.3Å; P147-L149 PolarHBondContact O-N 3.36Å; P147-N215 WeakPolarHBondContact CB-O 3.49Å
148	E	92.3	Very high	91.6	Very high	46 Å²	46	24.7 Å²	24.7	22%	0.215	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-1.6	-179.4	-81.8	-91.8	-168.5	0	0	114.2	P110 L112 R113 L146 R150	P110-E148 WeakPolarHBondContact O-CG 3.45Å; L112-E148 CarbonylContact O-C 3.32Å; R113-E148 WeakPolarHBondContact CA-O 3.18Å; R113-E148 HydrophobicContact CG-CB 4.14Å; R113-E148 IonicContact NE-OE2 3.61Å; R113-E148 PolarHBondContact NE-OE2 3.12Å; L146-E148 PolarHBondContact O-N 2.91Å; E148-R150 WeakPolarHBondContact O-CG 3.39Å; E148-R150 PolarHBondContact O-N 2.92Å; E148-R150 IonicContact OE1-NH2 2.66Å; E148-R150 IonicContact OE2-CZ 2.7Å; E148-R150 IonicContact OE2-NE 3.83Å; E148-R150 PolarHBondContact OE2-NE 3.24Å; E148-R150 IonicContact OE2-NH2 3.88Å; E148-R150 PolarHBondContact OE2-NH2 3.4Å
149	L	94.3	Very high	91.5	Very high	5 Å²	5	21.2 Å²	21.2	3%	0.026	11%	0.113	C	C	.	.			trans	-70.7	113.9	-177.4	-178.7	67.2	0	0	0	110.5	L112 I115 L146 P147 I152 L176 W210	L112-L149 HydrophobicContact CG-CD1 4.32Å; L112-L149 WeakPolarHBondContact O-CA 3.44Å; L112-L149 WeakPolarHBondContact O-CB 3.25Å; L112-L149 PolarHBondContact O-N 3.22Å; L112-L149 VanDerWaalsContact O-N 3.14Å; I115-L149 HydrophobicContact CD1-CD1 4.41Å; I115-L149 HydrophobicContact CG1-CD1 4.24Å; L146-L149 HydrophobicContact CB-CB 4.01Å; L146-L149 HydrophobicContact CB-CD2 4.34Å; L146-L149 HydrophobicContact CD1-CD2 3.95Å; L146-L149 VanDerWaalsContact O-CB 3.32Å; L146-L149 WeakPolarHBondContact O-CB 3.22Å; L146-L149 PolarHBondContact O-N 2.81Å; P147-L149 VanDerWaalsContact C-N 3.3Å; P147-L149 PolarHBondContact O-N 3.36Å; L149-I152 HydrophobicContact CD1-CG1 4.49Å; L149-I152 HydrophobicContact CD2-CD1 4.31Å; L149-I152 HydrophobicContact CD2-CG1 4.42Å; L149-L176 HydrophobicContact CG-CD2 4.23Å; L149-L176 WeakPolarHBondContact O-CD2 3.48Å; L149-W210 HydrophobicContact CB-CZ2 4.32Å; L149-W210 HydrophobicContact CD2-CH2 4.13Å
150	R	90.9	Very high	91.5	Very high	15 Å²	15	22.8 Å²	22.8	6%	0.057	12%	0.12	C	C	.	.			trans	-104.6	-39.4	-173.6	-41.9	-168.8	176.1	-148.7	-4	112.6	R113 E148 E219 Y221 A250 Y261	R113-R150 PolarHBondContact O-N 3.26Å; E148-R150 WeakPolarHBondContact O-CG 3.39Å; E148-R150 PolarHBondContact O-N 2.92Å; E148-R150 IonicContact OE1-NH2 2.66Å; E148-R150 IonicContact OE2-CZ 2.7Å; E148-R150 IonicContact OE2-NE 3.83Å; E148-R150 PolarHBondContact OE2-NE 3.24Å; E148-R150 IonicContact OE2-NH2 3.88Å; E148-R150 PolarHBondContact OE2-NH2 3.4Å; R150-E219 IonicContact CZ-OE2 2.72Å; R150-E219 IonicContact NH2-OE2 2.81Å; R150-E219 PolarHBondContact NH2-OE2 3.38Å; R150-Y221 HydrophobicContact CB-CD2 4.13Å; R150-Y221 HydrophobicContact CG-CD2 3.92Å; R150-Y221 HydrophobicContact CG-CE2 3.89Å; R150-Y221 VanDerWaalsContact CZ-CE2 3.47Å; R150-Y221 PolarHBondContact NH1-OH 3.07Å; R150-Y221 PolarHBondContact NH2-OH 3.12Å; R150-Y221 VanDerWaalsContact NH2-OH 3.1Å; R150-A250 HydrophobicContact CB-CB 4.18Å; R150-A250 WeakPolarHBondContact CB-O 3.29Å; R150-A250 WeakPolarHBondContact CD-O 3.08Å; R150-Y261 VanDerWaalsContact NH1-CE2 3.3Å
151	V	91.2	Very high	91.5	Very high	17 Å²	17	24.4 Å²	24.4	10%	0.103	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	136.9	-172	172.7	0	0	0	0	111.8	R113 I114 I115 H153 M233 A250	R113-V151 PolarHBondContact O-N 3.05Å; I114-V151 WeakPolarHBondContact CA-O 3.26Å; I114-V151 HydrophobicContact CD1-CG1 4.45Å; I115-V151 PolarHBondContact N-O 3.39Å; V151-H153 HydrophobicContact CG1-CB 4.4Å; V151-M233 HydrophobicContact CG2-CE 3.78Å; V151-M233 HydrophobicContact CG2-SD 4.42Å; V151-A250 HydrophobicContact CB-CB 4.27Å; V151-A250 HydrophobicContact CG2-CB 4.32Å
152	I	92.9	Very high	91.6	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	104.4	160.5	-62.4	-172.7	0	0	0	107.3	I115 S133 L134 L149 D154 I157 L176 L177 R184	I115-I152 HydrophobicContact CB-CG1 4.25Å; I115-I152 HydrophobicContact CD1-CD1 4.05Å; I115-I152 HydrophobicContact CD1-CG1 4.26Å; I115-I152 CarbonylContact O-C 3.29Å; I115-I152 WeakPolarHBondContact O-CA 3.37Å; S133-I152 WeakPolarHBondContact OG-CG2 3.48Å; L134-I152 HydrophobicContact CB-CD1 3.94Å; L134-I152 HydrophobicContact CD2-CD1 3.86Å; L149-I152 HydrophobicContact CD1-CG1 4.49Å; L149-I152 HydrophobicContact CD2-CD1 4.31Å; L149-I152 HydrophobicContact CD2-CG1 4.42Å; I152-D154 WeakPolarHBondContact CG2-O 3.27Å; I152-I157 HydrophobicContact CD1-CD1 3.72Å; I152-I157 HydrophobicContact CD1-CG1 3.56Å; I152-L176 PolarHBondContact N-O 3.4Å; I152-L177 HydrophobicContact CB-CD2 4.02Å; I152-L177 HydrophobicContact CG2-CD2 4.26Å; I152-R184 PolarHBondContact O-NH1 3.14Å; I152-R184 PolarHBondContact O-NH2 3.19Å
153	H	90	Very high	91.8	Very high	90 Å²	90	28.2 Å²	28.2	42%	0.417	14%	0.135	S	C	.	.			trans	-64.8	-59.3	-165	-173.1	83.5	0	0	0	111	I115 W116 V151 R184	I115-H153 PolarHBondContact O-N 2.84Å; W116-H153 HydrophobicContact CE3-CB 3.75Å; W116-H153 AromaticContact CE3-CG 3.72Å; W116-H153 HydrophobicContact CZ3-CB 4.26Å; W116-H153 AromaticContact CZ3-CG 3.9Å; W116-H153 AromaticContact CZ3-ND1 3.8Å; V151-H153 HydrophobicContact CG1-CB 4.4Å; H153-R184 PolarHBondContact O-NH1 2.69Å; H153-R184 PolarHBondContact O-NH2 3.17Å
154	D	90.2	Very high	91.9	Very high	71 Å²	71	32 Å²	32	38%	0.38	15%	0.147	S	C	.	.	S	Bend	trans	-121.7	168.6	171.9	-169.2	21.3	0	0	0	112.2	W116 K120 S133 I152 R184	W116-D154 PolarHBondContact O-N 2.99Å; K120-D154 WeakPolarHBondContact CE-OD2 3.48Å; K120-D154 IonicContact NZ-OD2 3.43Å; K120-D154 PolarHBondContact NZ-OD2 3.04Å; S133-D154 WeakPolarHBondContact CB-O 3.34Å; S133-D154 PolarHBondContact OG-O 3Å; I152-D154 WeakPolarHBondContact CG2-O 3.27Å; D154-R184 PolarHBondContact O-NH2 3.32Å
155	G	90	Very high	91.9	Very high	5 Å²	5	32 Å²	32	5%	0.052	15%	0.147	C	C	.	.	S	Bend	trans	81.6	176	-179.4	0	0	0	0	0	114.5	S133 R184	S133-G155 VanDerWaalsContact OG-C 3.23Å; S133-G155 WeakPolarHBondContact OG-CA 3.38Å; G155-R184 VanDerWaalsContact O-CZ 3.26Å; G155-R184 PolarHBondContact O-NE 2.93Å; G155-R184 PolarHBondContact O-NH2 2.82Å
156	S	92.7	Very high	91.7	Very high	13 Å²	13	32.5 Å²	32.5	9%	0.091	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	155.6	-178.7	-57.7	0	0	0	0	112.8	Q131 F132 S133 L134 R184	Q131-S156 WeakPolarHBondContact O-CB 3.38Å; Q131-S156 PolarHBondContact O-N 3.28Å; Q131-S156 PolarHBondContact O-OG 3.29Å; F132-S156 CarbonylContact C-O 3.59Å; F132-S156 VanDerWaalsContact CA-O 3.3Å; F132-S156 WeakPolarHBondContact CA-O 3.44Å; S133-S156 PolarHBondContact N-O 2.9Å; L134-S156 PolarHBondContact N-O 3.23Å; S156-R184 CarbonylContact C-O 3.49Å; S156-R184 WeakPolarHBondContact CA-O 3.32Å; S156-R184 VanDerWaalsContact CB-O 3.26Å; S156-R184 WeakPolarHBondContact CB-O 3.47Å
157	I	94.3	Very high	91.6	Very high	1 Å²	1	33 Å²	33	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	124.8	162.5	-59.9	175.2	0	0	0	108.7	L134 I152 V159 Y173 L176 L177 R184 L185 Q186	L134-I157 HydrophobicContact CB-CG1 4.41Å; L134-I157 HydrophobicContact CD2-CG1 4.43Å; L134-I157 HydrophobicContact CD2-CG2 4.37Å; L134-I157 CarbonylContact O-C 3.54Å; L134-I157 WeakPolarHBondContact O-CA 3.21Å; I152-I157 HydrophobicContact CD1-CD1 3.72Å; I152-I157 HydrophobicContact CD1-CG1 3.56Å; I157-V159 HydrophobicContact CG2-CG2 3.92Å; I157-Y173 HydrophobicContact CD1-CD1 3.91Å; I157-Y173 HydrophobicContact CD1-CE1 4.22Å; I157-L176 HydrophobicContact CD1-CD1 4.27Å; I157-L177 HydrophobicContact CD1-CD1 3.77Å; I157-L177 HydrophobicContact CD1-CD2 4.22Å; I157-L177 HydrophobicContact CD1-CG 4.02Å; I157-L177 HydrophobicContact CG1-CD1 4.1Å; I157-L177 HydrophobicContact CG1-CD2 4.19Å; I157-L177 HydrophobicContact CG1-CG 4.46Å; I157-R184 PolarHBondContact N-O 2.97Å; I157-L185 HydrophobicContact CB-CD1 3.9Å; I157-L185 HydrophobicContact CG2-CD1 3.96Å; I157-Q186 PolarHBondContact O-N 3.26Å
158	G	91.5	Very high	91.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	122.3	168.3	0	0	0	0	0	110.6	F132 L134 L135 V136 Q186	F132-G158 VanDerWaalsContact CE1-CA 3.44Å; L134-G158 PolarHBondContact O-N 3.26Å; L135-G158 CarbonylContact C-O 3.57Å; L135-G158 WeakPolarHBondContact CA-O 3.05Å; V136-G158 PolarHBondContact N-O 2.86Å; G158-Q186 WeakPolarHBondContact CA-O 3.39Å
159	V	92.3	Very high	91.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	107.8	171.5	-172.4	0	0	0	0	107.3	V136 I157 N162 M165 W168 Q186 L187 K188 S190	V136-V159 HydrophobicContact CB-CG1 4.43Å; V136-V159 WeakPolarHBondContact O-CA 3.46Å; I157-V159 HydrophobicContact CG2-CG2 3.92Å; V159-N162 WeakPolarHBondContact CG1-ND2 3.37Å; V159-M165 HydrophobicContact CG1-CE 3.76Å; V159-M165 HydrophobicContact CG1-SD 4.02Å; V159-W168 HydrophobicContact CG2-CE3 3.65Å; V159-W168 HydrophobicContact CG2-CZ3 3.51Å; V159-Q186 PolarHBondContact N-O 3.02Å; V159-L187 HydrophobicContact CB-CD2 3.63Å; V159-L187 HydrophobicContact CG2-CD2 3.69Å; V159-K188 PolarHBondContact O-N 3.06Å; V159-S190 PolarHBondContact O-OG 2.03Å
160	Q	91	Very high	91.2	Very high	40 Å²	40	36.7 Å²	36.7	19%	0.187	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	132.4	-167.2	-57.7	-166.7	7.7	0	0	111.5	V136 L137 N138 N162 K188 S190	V136-Q160 PolarHBondContact O-N 3.4Å; L137-Q160 CarbonylContact C-O 3.55Å; L137-Q160 WeakPolarHBondContact CA-O 3.48Å; L137-Q160 HydrophobicContact CD1-CB 3.72Å; N138-Q160 PolarHBondContact N-O 3.49Å; Q160-N162 VanDerWaalsContact C-N 3.32Å; Q160-N162 PolarHBondContact N-ND2 2.99Å; Q160-N162 PolarHBondContact O-N 2.98Å; Q160-N162 PolarHBondContact O-ND2 2.9Å; Q160-K188 VanDerWaalsContact CA-O 3.25Å; Q160-K188 WeakPolarHBondContact CA-O 3.46Å; Q160-K188 HydrophobicContact CG-CB 4.24Å; Q160-S190 VanDerWaalsContact C-OG 3.24Å; Q160-S190 WeakPolarHBondContact CA-OG 3.19Å; Q160-S190 PolarHBondContact N-OG 3.44Å
161	L	91.4	Very high	91.3	Very high	71 Å²	71	36.5 Å²	36.5	37%	0.372	17%	0.169	S	C	.	.	S	Bend	trans	65.1	17.3	172.5	-54.4	171.5	0	0	0	116.6	L137 N138 R163 K188 D189 S190	L137-L161 HydrophobicContact CD1-CD1 4.11Å; N138-L161 HydrophobicContact CB-CB 3.89Å; N138-L161 HydrophobicContact CB-CD1 4.2Å; L161-R163 PolarHBondContact O-N 2.77Å; L161-K188 PolarHBondContact N-O 2.99Å; L161-K188 VanDerWaalsContact N-O 3.16Å; L161-D189 CarbonylContact C-O 3.59Å; L161-D189 WeakPolarHBondContact CA-O 3.31Å; L161-D189 HydrophobicContact CD2-CB 3.85Å; L161-D189 PolarHBondContact N-O 3.12Å; L161-S190 PolarHBondContact N-OG 3.48Å; L161-S190 VanDerWaalsContact N-OG 3.12Å
162	N	91.7	Very high	91.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.169	C	C	.	.			trans	-95.9	65.6	-179.1	-46.3	-78.8	0	0	0	111.8	V136 N138 N139 V159 Q160 R164 M165 S190	V136-N162 PolarHBondContact O-ND2 3.42Å; N138-N162 PolarHBondContact N-OD1 2.97Å; N139-N162 WeakPolarHBondContact CB-OD1 3.47Å; N139-N162 PolarHBondContact N-OD1 3.31Å; N139-N162 PolarHBondContact ND2-OD1 2.64Å; V159-N162 WeakPolarHBondContact CG1-ND2 3.37Å; Q160-N162 VanDerWaalsContact C-N 3.32Å; Q160-N162 PolarHBondContact N-ND2 2.99Å; Q160-N162 PolarHBondContact O-N 2.98Å; Q160-N162 PolarHBondContact O-ND2 2.9Å; N162-R164 VanDerWaalsContact C-N 3.27Å; N162-R164 PolarHBondContact O-N 2.76Å; N162-M165 HydrophobicContact CB-CB 3.95Å; N162-M165 HydrophobicContact CB-CG 4.49Å; N162-M165 HydrophobicContact CB-SD 3.61Å; N162-M165 WeakPolarHBondContact O-CB 3.19Å; N162-M165 PolarHBondContact O-N 3.13Å; N162-S190 PolarHBondContact N-OG 3.35Å; N162-S190 VanDerWaalsContact N-OG 3.08Å; N162-S190 PolarHBondContact ND2-OG 3.28Å; N162-S190 CarbonylContact O-C 3.59Å; N162-S190 VanDerWaalsContact O-C 3.3Å; N162-S190 WeakPolarHBondContact O-CA 3.35Å
163	R	91.4	Very high	91.4	Very high	145 Å²	145	37.1 Å²	37.1	55%	0.547	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-27.7	-156.7	-59.2	-171.9	-179.4	-168	-0.7	118.7	L161 H191 Q192 D193	L161-R163 PolarHBondContact O-N 2.77Å; R163-H191 CarbonylContact O-C 3.53Å; R163-H191 WeakPolarHBondContact O-CA 3.35Å; R163-Q192 PolarHBondContact O-N 2.84Å; R163-D193 HydrophobicContact CB-CB 4.44Å; R163-D193 PolarHBondContact O-N 2.92Å; R163-D193 VanDerWaalsContact O-N 3.13Å
164	R	89.4	Confident	91.6	Very high	129 Å²	129	37.7 Å²	37.7	49%	0.487	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	7.2	-176.9	-69.4	-174	178.6	-165.3	-3.1	114.6	F141 E142 N162 C166 D193	F141-R164 CarbonylContact O-C 3.53Å; E142-R164 HydrophobicContact CG-CB 4.07Å; E142-R164 VanDerWaalsContact OE1-CD 3.22Å; E142-R164 WeakPolarHBondContact OE1-CD 3.43Å; E142-R164 IonicContact OE1-CZ 3.12Å; E142-R164 IonicContact OE1-NE 3.04Å; E142-R164 IonicContact OE1-NH1 3.99Å; E142-R164 PolarHBondContact OE1-NH1 3.36Å; N162-R164 VanDerWaalsContact C-N 3.27Å; N162-R164 PolarHBondContact O-N 2.76Å; R164-C166 PolarHBondContact O-N 3.2Å; R164-C166 PolarHBondContact O-SG 3.32Å; R164-D193 HydrophobicContact CG-CB 3.69Å; R164-D193 IonicContact NE-OD2 3.9Å
165	M	90.8	Very high	91.6	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	15%	0.153	C	C	.	.			trans	-83.5	63.3	-170.3	-167.8	168.9	151.8	0	0	111.5	V136 F141 L144 V159 N162 W168 H191	V136-M165 HydrophobicContact CG1-CE 4.17Å; V136-M165 HydrophobicContact CG1-SD 4.15Å; F141-M165 HydrophobicContact CB-SD 4.29Å; F141-M165 HydrophobicContact CD2-SD 4.36Å; F141-M165 PolarHBondContact O-N 3.26Å; L144-M165 HydrophobicContact CB-CE 4.12Å; L144-M165 HydrophobicContact CD2-CE 3.73Å; L144-M165 HydrophobicContact CG-CE 4.45Å; V159-M165 HydrophobicContact CG1-CE 3.76Å; V159-M165 HydrophobicContact CG1-SD 4.02Å; N162-M165 HydrophobicContact CB-CB 3.95Å; N162-M165 HydrophobicContact CB-CG 4.49Å; N162-M165 HydrophobicContact CB-SD 3.61Å; N162-M165 WeakPolarHBondContact O-CB 3.19Å; N162-M165 PolarHBondContact O-N 3.13Å; M165-W168 HydrophobicContact CE-CB 4.28Å; M165-W168 HydrophobicContact CE-CD2 3.19Å; M165-W168 HydrophobicContact CE-CE3 3.66Å; M165-W168 HydrophobicContact CE-CG 3.5Å; M165-W168 HydrophobicContact CE-CH2 4.03Å; M165-W168 HydrophobicContact CE-CZ2 3.67Å; M165-W168 HydrophobicContact CE-CZ3 4.04Å; M165-W168 HydrophobicContact CG-CG 4.34Å; M165-H191 PolarHBondContact O-CE1 3.14Å; M165-H191 VanDerWaalsContact O-CE1 3.23Å; M165-H191 PolarHBondContact O-ND1 3.06Å
166	C	89.8	Confident	91.7	Very high	12 Å²	12	34.8 Å²	34.8	8%	0.081	15%	0.152	C	C	.	.			trans	-69	-42.2	-161	-56.8	0	0	0	0	115	R164 W168 K169 C194 D199	R164-C166 PolarHBondContact O-N 3.2Å; R164-C166 PolarHBondContact O-SG 3.32Å; C166-W168 VanDerWaalsContact C-N 3.3Å; C166-W168 PolarHBondContact O-N 2.96Å; C166-K169 VanDerWaalsContact O-CB 3.3Å; C166-K169 WeakPolarHBondContact O-CB 3.33Å; C166-K169 PolarHBondContact O-N 3.38Å; C166-C194 WeakPolarHBondContact CA-SG 3.05Å; C166-C194 HydrophobicContact CB-CB 3.89Å; C166-C194 WeakPolarHBondContact CB-SG 3.23Å; C166-C194 WeakPolarHBondContact SG-CB 3.45Å; C166-C194 CovalentContact SG-SG 2.02Å; C166-C194 PolarHBondContact SG-SG 2.72Å; C166-D199 HydrophobicContact CB-CB 4.27Å; C166-D199 WeakPolarHBondContact CB-O 3.36Å
167	H	91.9	Very high	91.6	Very high	12 Å²	12	34.6 Å²	34.6	6%	0.056	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-62.9	-31.6	-172.9	-63.4	83.3	0	0	0	113.8	H143 K169 T170 D199 W210 G211	H143-H167 AromaticContact CE1-CE1 3.51Å; H143-H167 AromaticContact CE1-ND1 3.85Å; H143-H167 AromaticContact ND1-CE1 3.77Å; H143-H167 AromaticContact ND1-ND1 3.67Å; H167-K169 PolarHBondContact O-N 2.89Å; H167-K169 VanDerWaalsContact O-N 3.07Å; H167-T170 WeakPolarHBondContact O-CB 3.46Å; H167-T170 WeakPolarHBondContact O-CG2 3.45Å; H167-T170 PolarHBondContact O-N 2.65Å; H167-T170 PolarHBondContact O-OG1 3.42Å; H167-D199 PolarHBondContact CE1-O 2.68Å; H167-W210 WeakPolarHBondContact CB-O 3.47Å; H167-G211 VanDerWaalsContact CD2-C 3.5Å
168	W	92.1	Very high	91.3	Very high	1 Å²	1	34.7 Å²	34.7	0%	0.004	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-62.9	-18	179.3	-83.3	53.4	0	0	0	114.3	L134 V136 L144 L146 V159 M165 C166 T170 L171 Y173 W210	L134-W168 HydrophobicContact CD2-CH2 4.09Å; L134-W168 HydrophobicContact CD2-CZ3 4.44Å; V136-W168 HydrophobicContact CG2-CH2 4.22Å; L144-W168 HydrophobicContact CB-CZ2 4.28Å; L144-W168 HydrophobicContact CD2-CH2 4.11Å; L144-W168 HydrophobicContact CD2-CZ2 3.55Å; L144-W168 HydrophobicContact CG-CZ2 3.75Å; L144-W168 PolarHBondContact O-NE1 3.13Å; L146-W168 HydrophobicContact CD1-CH2 3.64Å; L146-W168 HydrophobicContact CD1-CZ2 3.55Å; L146-W168 HydrophobicContact CG-CZ2 4.16Å; V159-W168 HydrophobicContact CG2-CE3 3.65Å; V159-W168 HydrophobicContact CG2-CZ3 3.51Å; M165-W168 HydrophobicContact CE-CB 4.28Å; M165-W168 HydrophobicContact CE-CD2 3.19Å; M165-W168 HydrophobicContact CE-CE3 3.66Å; M165-W168 HydrophobicContact CE-CG 3.5Å; M165-W168 HydrophobicContact CE-CH2 4.03Å; M165-W168 HydrophobicContact CE-CZ2 3.67Å; M165-W168 HydrophobicContact CE-CZ3 4.04Å; M165-W168 HydrophobicContact CG-CG 4.34Å; C166-W168 VanDerWaalsContact C-N 3.3Å; C166-W168 PolarHBondContact O-N 2.96Å; W168-T170 PolarHBondContact O-N 2.84Å; W168-L171 HydrophobicContact CB-CD1 4.07Å; W168-L171 HydrophobicContact CD2-CD1 3.87Å; W168-L171 HydrophobicContact CE3-CD1 4.13Å; W168-L171 HydrophobicContact CG-CD1 3.84Å; W168-Y173 PolarHBondContact O-OH 3.27Å; W168-W210 HydrophobicContact CD2-CE3 4.18Å; W168-W210 HydrophobicContact CD2-CZ3 4.01Å; W168-W210 AromaticContact CE2-CE3 3.57Å; W168-W210 AromaticContact CE2-CZ3 3.58Å; W168-W210 HydrophobicContact CE3-CZ3 4.25Å; W168-W210 AromaticContact CH2-CZ3 3.87Å; W168-W210 HydrophobicContact CH2-CZ3 3.87Å; W168-W210 AromaticContact CZ2-CE3 3.81Å; W168-W210 HydrophobicContact CZ2-CE3 3.81Å; W168-W210 AromaticContact CZ2-CZ3 3.52Å; W168-W210 HydrophobicContact CZ2-CZ3 3.52Å; W168-W210 HydrophobicContact CZ3-CZ3 4.2Å; W168-W210 AromaticContact NE1-CE3 3.56Å
169	K	88.7	Confident	91	Very high	117 Å²	117	40.9 Å²	40.9	51%	0.509	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-66.2	-22	170.9	-172.4	-177.3	171.4	-168.6	0	112.4	C166 H167	C166-K169 VanDerWaalsContact O-CB 3.3Å; C166-K169 WeakPolarHBondContact O-CB 3.33Å; C166-K169 PolarHBondContact O-N 3.38Å; H167-K169 PolarHBondContact O-N 2.89Å; H167-K169 VanDerWaalsContact O-N 3.07Å
170	T	91.1	Very high	90.7	Very high	30 Å²	30	47.1 Å²	47.1	18%	0.184	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-84.5	-18.2	-177.5	75.3	0	0	0	0	113.8	H167 W168 W200 H208 C209	H167-T170 WeakPolarHBondContact O-CB 3.46Å; H167-T170 WeakPolarHBondContact O-CG2 3.45Å; H167-T170 PolarHBondContact O-N 2.65Å; H167-T170 PolarHBondContact O-OG1 3.42Å; W168-T170 PolarHBondContact O-N 2.84Å; T170-W200 HydrophobicContact CG2-CB 4.15Å; T170-W200 WeakPolarHBondContact CG2-O 3.4Å; T170-H208 PolarHBondContact O-ND1 2.03Å; T170-C209 PolarHBondContact OG1-N 3.49Å; T170-C209 VanDerWaalsContact OG1-N 3.14Å; T170-C209 PolarHBondContact OG1-O 3.11Å; T170-C209 VanDerWaalsContact OG1-O 3.08Å
171	L	93.3	Very high	90.6	Very high	11 Å²	11	48.2 Å²	48.2	6%	0.058	21%	0.214	C	C	.	.			trans	-67.2	139.5	-168.9	-62.4	167.5	0	0	0	113.7	W168 Y173 C209 W210 Q218	W168-L171 HydrophobicContact CB-CD1 4.07Å; W168-L171 HydrophobicContact CD2-CD1 3.87Å; W168-L171 HydrophobicContact CE3-CD1 4.13Å; W168-L171 HydrophobicContact CG-CD1 3.84Å; L171-Y173 HydrophobicContact CB-CD2 4.34Å; L171-Y173 HydrophobicContact CB-CE1 4.49Å; L171-Y173 HydrophobicContact CB-CE2 3.91Å; L171-Y173 HydrophobicContact CD1-CE1 4.38Å; L171-Y173 VanDerWaalsContact O-CD2 3.23Å; L171-Y173 WeakPolarHBondContact O-CD2 3.28Å; L171-Y173 WeakPolarHBondContact O-CE2 3.4Å; L171-Y173 PolarHBondContact O-N 2.03Å; L171-C209 WeakPolarHBondContact CD2-O 3.29Å; L171-W210 HydrophobicContact CD1-CD2 4.08Å; L171-W210 HydrophobicContact CD1-CE3 3.49Å; L171-W210 VanDerWaalsContact CD1-CE3 3.49Å; L171-W210 HydrophobicContact CD1-CH2 3.8Å; L171-W210 HydrophobicContact CD1-CZ2 4.35Å; L171-W210 HydrophobicContact CD1-CZ3 3.31Å; L171-W210 HydrophobicContact CD2-CD2 3.71Å; L171-W210 HydrophobicContact CD2-CE3 4.01Å; L171-W210 HydrophobicContact CD2-CG 4.1Å; L171-W210 HydrophobicContact CD2-CH2 4.43Å; L171-W210 HydrophobicContact CD2-CZ2 4.16Å; L171-W210 HydrophobicContact CD2-CZ3 4.36Å; L171-W210 HydrophobicContact CG-CE3 4.39Å; L171-W210 HydrophobicContact CG-CZ3 4.48Å; L171-Q218 HydrophobicContact CD2-CB 3.91Å; L171-Q218 HydrophobicContact CD2-CG 4.12Å
172	D	93.4	Very high	90.4	Very high	19 Å²	19	50.1 Å²	50.1	10%	0.102	22%	0.224	C	C	.	.			trans	-84.4	93	166.2	-176.6	16.3	0	0	0	110.8	R174 Q175 Q218	D172-R174 PolarHBondContact O-N 3.35Å; D172-R174 VanDerWaalsContact O-N 3.15Å; D172-R174 VanDerWaalsContact OD1-CB 3.24Å; D172-R174 WeakPolarHBondContact OD1-CB 3.36Å; D172-R174 WeakPolarHBondContact OD1-CG 3.29Å; D172-R174 IonicContact OD1-CZ 3.77Å; D172-R174 PolarHBondContact OD1-N 3.02Å; D172-R174 VanDerWaalsContact OD1-N 3.09Å; D172-R174 IonicContact OD1-NE 2.67Å; D172-R174 PolarHBondContact OD1-NE 2.69Å; D172-R174 IonicContact OD1-NH2 3.89Å; D172-R174 IonicContact OD2-CZ 3.57Å; D172-R174 IonicContact OD2-NE 2.74Å; D172-R174 PolarHBondContact OD2-NE 3.01Å; D172-R174 IonicContact OD2-NH2 2.93Å; D172-R174 PolarHBondContact OD2-NH2 3.2Å; D172-Q175 HydrophobicContact CB-CG 4.36Å; D172-Q175 PolarHBondContact O-N 3.15Å; D172-Q175 PolarHBondContact OD2-NE2 2.93Å; D172-Q218 PolarHBondContact O-NE2 3.11Å
173	Y	93.3	Very high	90.3	Very high	11 Å²	11	54.7 Å²	54.7	4%	0.043	26%	0.256	C	S	.	.	H	α-helix	trans	-64.9	-12.3	178.5	-65.3	-84.9	0	0	0	114.2	I157 W168 L171 Q175 L176 L177 L185 L187	I157-Y173 HydrophobicContact CD1-CD1 3.91Å; I157-Y173 HydrophobicContact CD1-CE1 4.22Å; W168-Y173 PolarHBondContact O-OH 3.27Å; L171-Y173 HydrophobicContact CB-CD2 4.34Å; L171-Y173 HydrophobicContact CB-CE1 4.49Å; L171-Y173 HydrophobicContact CB-CE2 3.91Å; L171-Y173 HydrophobicContact CD1-CE1 4.38Å; L171-Y173 VanDerWaalsContact O-CD2 3.23Å; L171-Y173 WeakPolarHBondContact O-CD2 3.28Å; L171-Y173 WeakPolarHBondContact O-CE2 3.4Å; L171-Y173 PolarHBondContact O-N 2.03Å; Y173-Q175 VanDerWaalsContact C-N 3.29Å; Y173-Q175 PolarHBondContact O-N 3.21Å; Y173-L176 HydrophobicContact CD1-CD1 4.27Å; Y173-L176 PolarHBondContact O-N 2.59Å; Y173-L177 PolarHBondContact O-N 2.89Å; Y173-L185 HydrophobicContact CD1-CD1 3.6Å; Y173-L185 HydrophobicContact CD1-CD2 4.02Å; Y173-L185 HydrophobicContact CD1-CG 4.44Å; Y173-L185 HydrophobicContact CD2-CD1 4.47Å; Y173-L185 HydrophobicContact CD2-CD2 3.51Å; Y173-L185 HydrophobicContact CE1-CD1 3.61Å; Y173-L185 HydrophobicContact CE1-CD2 4.4Å; Y173-L185 HydrophobicContact CE2-CD2 3.97Å; Y173-L185 HydrophobicContact CG-CD1 4.05Å; Y173-L185 HydrophobicContact CG-CD2 3.54Å; Y173-L185 HydrophobicContact CG-CG 4.41Å; Y173-L187 HydrophobicContact CE2-CD1 3.96Å
174	R	92.7	Very high	90.3	Very high	102 Å²	102	50 Å²	50	39%	0.385	24%	0.239	S	C	.	.	H	α-helix	trans	-63.6	-35.2	172.8	-64.3	174.8	-57.7	141.3	18.3	111.9	D172 L176 G178 Y181 D223	D172-R174 PolarHBondContact O-N 3.35Å; D172-R174 VanDerWaalsContact O-N 3.15Å; D172-R174 VanDerWaalsContact OD1-CB 3.24Å; D172-R174 WeakPolarHBondContact OD1-CB 3.36Å; D172-R174 WeakPolarHBondContact OD1-CG 3.29Å; D172-R174 IonicContact OD1-CZ 3.77Å; D172-R174 PolarHBondContact OD1-N 3.02Å; D172-R174 VanDerWaalsContact OD1-N 3.09Å; D172-R174 IonicContact OD1-NE 2.67Å; D172-R174 PolarHBondContact OD1-NE 2.69Å; D172-R174 IonicContact OD1-NH2 3.89Å; D172-R174 IonicContact OD2-CZ 3.57Å; D172-R174 IonicContact OD2-NE 2.74Å; D172-R174 PolarHBondContact OD2-NE 3.01Å; D172-R174 IonicContact OD2-NH2 2.93Å; D172-R174 PolarHBondContact OD2-NH2 3.2Å; R174-L176 VanDerWaalsContact C-N 3.29Å; R174-L176 PolarHBondContact O-N 3.04Å; R174-G178 WeakPolarHBondContact O-CA 3.36Å; R174-G178 PolarHBondContact O-N 3.11Å; R174-Y181 HydrophobicContact CB-CD1 4.33Å; R174-Y181 HydrophobicContact CG-CD1 3.25Å; R174-Y181 HydrophobicContact CG-CE1 3.35Å; R174-Y181 HydrophobicContact CG-CG 4.05Å; R174-D223 IonicContact NH2-OD2 3.69Å; R174-D223 PolarHBondContact NH2-OD2 3.1Å
175	Q	90.8	Very high	90.4	Very high	11 Å²	11	45.3 Å²	45.3	5%	0.051	22%	0.223	C	C	.	.	H	α-helix	trans	-61	-41.6	176.4	-57.9	-50.3	-54.8	0	0	110.9	D172 Y173 D223	D172-Q175 HydrophobicContact CB-CG 4.36Å; D172-Q175 PolarHBondContact O-N 3.15Å; D172-Q175 PolarHBondContact OD2-NE2 2.93Å; Y173-Q175 VanDerWaalsContact C-N 3.29Å; Y173-Q175 PolarHBondContact O-N 3.21Å; Q175-D223 PolarHBondContact NE2-OD1 2.85Å; Q175-D223 PolarHBondContact NE2-OD2 3.25Å
176	L	92	Very high	90.3	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-81.5	-38.9	-173.9	-54.9	179.3	0	0	0	114.2	L149 I152 I157 Y173 R174 W210	L149-L176 HydrophobicContact CG-CD2 4.23Å; L149-L176 WeakPolarHBondContact O-CD2 3.48Å; I152-L176 PolarHBondContact N-O 3.4Å; I157-L176 HydrophobicContact CD1-CD1 4.27Å; Y173-L176 HydrophobicContact CD1-CD1 4.27Å; Y173-L176 PolarHBondContact O-N 2.59Å; R174-L176 VanDerWaalsContact C-N 3.29Å; R174-L176 PolarHBondContact O-N 3.04Å; L176-W210 HydrophobicContact CD1-CH2 3.76Å; L176-W210 HydrophobicContact CD1-CZ2 4.11Å; L176-W210 HydrophobicContact CD2-CZ2 4.49Å
177	L	91.2	Very high	90.3	Very high	10 Å²	10	50.6 Å²	50.6	5%	0.052	25%	0.248	C	C	.	.	H	α-helix	trans	-115	-6.1	-169	-65.2	171	0	0	0	114	I152 I157 Y173 R184 L185	I152-L177 HydrophobicContact CB-CD2 4.02Å; I152-L177 HydrophobicContact CG2-CD2 4.26Å; I157-L177 HydrophobicContact CD1-CD1 3.77Å; I157-L177 HydrophobicContact CD1-CD2 4.22Å; I157-L177 HydrophobicContact CD1-CG 4.02Å; I157-L177 HydrophobicContact CG1-CD1 4.1Å; I157-L177 HydrophobicContact CG1-CD2 4.19Å; I157-L177 HydrophobicContact CG1-CG 4.46Å; Y173-L177 PolarHBondContact O-N 2.89Å; L177-R184 HydrophobicContact CD1-CB 3.98Å; L177-R184 HydrophobicContact CD2-CB 4.16Å; L177-R184 PolarHBondContact O-NH1 3.15Å; L177-L185 HydrophobicContact CD1-CB 4.24Å
178	G	87.3	Confident	90.1	Very high	2 Å²	2	56 Å²	56	2%	0.021	27%	0.272	C	S	.	.			trans	71.7	-169.8	-173.2	0	0	0	0	0	113.5	R174 K180 Y181	R174-G178 WeakPolarHBondContact O-CA 3.36Å; R174-G178 PolarHBondContact O-N 3.11Å; G178-K180 PolarHBondContact O-N 3.18Å; G178-Y181 WeakPolarHBondContact O-CB 3.39Å; G178-Y181 PolarHBondContact O-N 3.23Å
179	D	85.1	Confident	89.8	Confident	130 Å²	130	59.5 Å²	59.5	70%	0.695	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-26.4	-171	-45.6	-71	0	0	0	113.4	R222	D179-R222 IonicContact OD2-NH2 3.67Å; D179-R222 PolarHBondContact OD2-NH2 3.44Å
180	K	85.5	Confident	89.8	Confident	132 Å²	132	54 Å²	54	57%	0.574	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	3.5	180	-69.9	-177.3	-179.7	175.7	0	115.5	G178 N182 S183	G178-K180 PolarHBondContact O-N 3.18Å; K180-N182 PolarHBondContact O-N 2.93Å; K180-S183 PolarHBondContact O-N 2.73Å; K180-S183 VanDerWaalsContact O-N 3.16Å; K180-S183 PolarHBondContact O-OG 3.18Å
181	Y	90.5	Very high	89.6	Confident	63 Å²	63	54.5 Å²	54.5	25%	0.247	27%	0.267	C	S	.	.	G	3₁₀ helix		51.4	-116.5	115.7	149.6	-66.5	0	0	0	118.2	R174 G178 S183 R184 L185	R174-Y181 HydrophobicContact CB-CD1 4.33Å; R174-Y181 HydrophobicContact CG-CD1 3.25Å; R174-Y181 HydrophobicContact CG-CE1 3.35Å; R174-Y181 HydrophobicContact CG-CG 4.05Å; G178-Y181 WeakPolarHBondContact O-CB 3.39Å; G178-Y181 PolarHBondContact O-N 3.23Å; Y181-S183 PolarHBondContact O-N 3.48Å; Y181-S183 VanDerWaalsContact O-N 3.09Å; Y181-R184 PolarHBondContact O-N 2.87Å; Y181-L185 HydrophobicContact CD2-CD2 4.1Å; Y181-L185 HydrophobicContact CE2-CD2 4.34Å; Y181-L185 PolarHBondContact O-N 2.97Å
182	N	87.4	Confident	89.2	Confident	110 Å²	110	57.8 Å²	57.8	59%	0.588	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-56.2	-21.4	-173.7	-70.2	-64.2	0	0	0	115.5	K180	K180-N182 PolarHBondContact O-N 2.93Å
183	S	88.3	Confident	89	Confident	96 Å²	96	60 Å²	60	67%	0.671	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-87.7	-14.9	175.5	65	0	0	0	0	113.3	K180 Y181	K180-S183 PolarHBondContact O-N 2.73Å; K180-S183 VanDerWaalsContact O-N 3.16Å; K180-S183 PolarHBondContact O-OG 3.18Å; Y181-S183 PolarHBondContact O-N 3.48Å; Y181-S183 VanDerWaalsContact O-N 3.09Å
184	R	90.9	Very high	88.7	Confident	47 Å²	47	60.1 Å²	60.1	18%	0.177	30%	0.296	C	S	.	.	S	Bend	trans	-106.3	2.5	179.9	-65	178.7	65.9	-168.7	2.1	113.4	I152 H153 D154 G155 S156 I157 L177 Y181	I152-R184 PolarHBondContact O-NH1 3.14Å; I152-R184 PolarHBondContact O-NH2 3.19Å; H153-R184 PolarHBondContact O-NH1 2.69Å; H153-R184 PolarHBondContact O-NH2 3.17Å; D154-R184 PolarHBondContact O-NH2 3.32Å; G155-R184 VanDerWaalsContact O-CZ 3.26Å; G155-R184 PolarHBondContact O-NE 2.93Å; G155-R184 PolarHBondContact O-NH2 2.82Å; S156-R184 CarbonylContact C-O 3.49Å; S156-R184 WeakPolarHBondContact CA-O 3.32Å; S156-R184 VanDerWaalsContact CB-O 3.26Å; S156-R184 WeakPolarHBondContact CB-O 3.47Å; I157-R184 PolarHBondContact N-O 2.97Å; L177-R184 HydrophobicContact CD1-CB 3.98Å; L177-R184 HydrophobicContact CD2-CB 4.16Å; L177-R184 PolarHBondContact O-NH1 3.15Å; Y181-R184 PolarHBondContact O-N 2.87Å
185	L	92.4	Very high	88.4	Confident	31 Å²	31	61.9 Å²	61.9	16%	0.162	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	125.9	-177.2	-178.5	65	0	0	0	111.7	I157 Y173 L177 Y181 L187	I157-L185 HydrophobicContact CB-CD1 3.9Å; I157-L185 HydrophobicContact CG2-CD1 3.96Å; Y173-L185 HydrophobicContact CD1-CD1 3.6Å; Y173-L185 HydrophobicContact CD1-CD2 4.02Å; Y173-L185 HydrophobicContact CD1-CG 4.44Å; Y173-L185 HydrophobicContact CD2-CD1 4.47Å; Y173-L185 HydrophobicContact CD2-CD2 3.51Å; Y173-L185 HydrophobicContact CE1-CD1 3.61Å; Y173-L185 HydrophobicContact CE1-CD2 4.4Å; Y173-L185 HydrophobicContact CE2-CD2 3.97Å; Y173-L185 HydrophobicContact CG-CD1 4.05Å; Y173-L185 HydrophobicContact CG-CD2 3.54Å; Y173-L185 HydrophobicContact CG-CG 4.41Å; L177-L185 HydrophobicContact CD1-CB 4.24Å; Y181-L185 HydrophobicContact CD2-CD2 4.1Å; Y181-L185 HydrophobicContact CE2-CD2 4.34Å; Y181-L185 PolarHBondContact O-N 2.97Å; L185-L187 HydrophobicContact CD1-CD2 3.87Å; L185-L187 HydrophobicContact CD1-CG 3.97Å; L185-L187 HydrophobicContact CD2-CD1 4.28Å; L185-L187 HydrophobicContact CD2-CG 4.26Å; L185-L187 HydrophobicContact CG-CD2 4.5Å; L185-L187 HydrophobicContact CG-CG 4.05Å
186	Q	89.1	Confident	88	Confident	55 Å²	55	63.3 Å²	63.3	26%	0.257	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	89.3	176	-66.4	176.6	48.2	0	0	110.5	F132 I157 G158 V159	F132-Q186 HydrophobicContact CE1-CB 4.25Å; F132-Q186 HydrophobicContact CE1-CG 4.38Å; I157-Q186 PolarHBondContact O-N 3.26Å; G158-Q186 WeakPolarHBondContact CA-O 3.39Å; V159-Q186 PolarHBondContact N-O 3.02Å
187	L	88.9	Confident	87.5	Confident	69 Å²	69	67.3 Å²	67.3	36%	0.361	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	119.7	169.3	-56.4	-178	0	0	0	109.1	V159 Y173 L185	V159-L187 HydrophobicContact CB-CD2 3.63Å; V159-L187 HydrophobicContact CG2-CD2 3.69Å; Y173-L187 HydrophobicContact CE2-CD1 3.96Å; L185-L187 HydrophobicContact CD1-CD2 3.87Å; L185-L187 HydrophobicContact CD1-CG 3.97Å; L185-L187 HydrophobicContact CD2-CD1 4.28Å; L185-L187 HydrophobicContact CD2-CG 4.26Å; L185-L187 HydrophobicContact CG-CD2 4.5Å; L185-L187 HydrophobicContact CG-CG 4.05Å
188	K	87.6	Confident	87.1	Confident	126 Å²	126	72.9 Å²	72.9	55%	0.548	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	135	177.3	-174.5	175.8	177.5	-177.1	0	110.3	V159 Q160 L161 S190	V159-K188 PolarHBondContact O-N 3.06Å; Q160-K188 VanDerWaalsContact CA-O 3.25Å; Q160-K188 WeakPolarHBondContact CA-O 3.46Å; Q160-K188 HydrophobicContact CG-CB 4.24Å; L161-K188 PolarHBondContact N-O 2.99Å; L161-K188 VanDerWaalsContact N-O 3.16Å; K188-S190 VanDerWaalsContact C-N 3.25Å; K188-S190 PolarHBondContact O-N 2.73Å; K188-S190 PolarHBondContact O-OG 3.01Å
189	D	86.8	Confident	86.9	Confident	73 Å²	73	75.5 Å²	75.5	39%	0.39	39%	0.394	S	S	.	.	S	Bend	trans	49.2	37.9	164.7	-70.1	-46.6	0	0	0	115.9	L161 Q192	L161-D189 CarbonylContact C-O 3.59Å; L161-D189 WeakPolarHBondContact CA-O 3.31Å; L161-D189 HydrophobicContact CD2-CB 3.85Å; L161-D189 PolarHBondContact N-O 3.12Å; D189-Q192 VanDerWaalsContact C-CD 3.43Å; D189-Q192 PolarHBondContact O-NE2 2.84Å; D189-Q192 VanDerWaalsContact O-NE2 3.17Å; D189-Q192 PolarHBondContact O-OE1 3.09Å; D189-Q192 PolarHBondContact OD1-NE2 2.98Å; D189-Q192 VanDerWaalsContact OD1-NE2 3.1Å
190	S	88	Confident	86.9	Confident	2 Å²	2	73.5 Å²	73.5	1%	0.014	38%	0.377	C	S	.	.			trans	-125.5	15.2	-172.6	-59.8	0	0	0	0	115.1	V159 Q160 L161 N162 K188	V159-S190 PolarHBondContact O-OG 2.03Å; Q160-S190 VanDerWaalsContact C-OG 3.24Å; Q160-S190 WeakPolarHBondContact CA-OG 3.19Å; Q160-S190 PolarHBondContact N-OG 3.44Å; L161-S190 PolarHBondContact N-OG 3.48Å; L161-S190 VanDerWaalsContact N-OG 3.12Å; N162-S190 PolarHBondContact N-OG 3.35Å; N162-S190 VanDerWaalsContact N-OG 3.08Å; N162-S190 PolarHBondContact ND2-OG 3.28Å; N162-S190 CarbonylContact O-C 3.59Å; N162-S190 VanDerWaalsContact O-C 3.3Å; N162-S190 WeakPolarHBondContact O-CA 3.35Å; K188-S190 VanDerWaalsContact C-N 3.25Å; K188-S190 PolarHBondContact O-N 2.73Å; K188-S190 PolarHBondContact O-OG 3.01Å
191	H	87.8	Confident	87	Confident	40 Å²	40	70.4 Å²	70.4	19%	0.185	37%	0.372	C	S	.	.	S	Bend	trans	-145.4	15.8	-178.8	-46.5	-63.7	0	0	0	113.1	R163 M165 D193 C194	R163-H191 CarbonylContact O-C 3.53Å; R163-H191 WeakPolarHBondContact O-CA 3.35Å; M165-H191 PolarHBondContact O-CE1 3.14Å; M165-H191 VanDerWaalsContact O-CE1 3.23Å; M165-H191 PolarHBondContact O-ND1 3.06Å; H191-D193 VanDerWaalsContact C-N 3.3Å; H191-D193 PolarHBondContact O-N 2.75Å; H191-C194 WeakPolarHBondContact O-CB 3.36Å; H191-C194 PolarHBondContact O-N 2.95Å; H191-C194 PolarHBondContact O-SG 2.86Å
192	Q	84.9	Confident	87	Confident	80 Å²	80	68.5 Å²	68.5	37%	0.374	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-24	-171.7	-52.9	94.5	-44.1	0	0	113.4	R163 D189 C194	R163-Q192 PolarHBondContact O-N 2.84Å; D189-Q192 VanDerWaalsContact C-CD 3.43Å; D189-Q192 PolarHBondContact O-NE2 2.84Å; D189-Q192 VanDerWaalsContact O-NE2 3.17Å; D189-Q192 PolarHBondContact O-OE1 3.09Å; D189-Q192 PolarHBondContact OD1-NE2 2.98Å; D189-Q192 VanDerWaalsContact OD1-NE2 3.1Å; Q192-C194 VanDerWaalsContact C-N 3.28Å
193	D	88.1	Confident	87.3	Confident	65 Å²	65	65.1 Å²	65.1	35%	0.348	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-1.9	-179	-67.4	8	0	0	0	111.8	R163 R164 H191 N195	R163-D193 HydrophobicContact CB-CB 4.44Å; R163-D193 PolarHBondContact O-N 2.92Å; R163-D193 VanDerWaalsContact O-N 3.13Å; R164-D193 HydrophobicContact CG-CB 3.69Å; R164-D193 IonicContact NE-OD2 3.9Å; H191-D193 VanDerWaalsContact C-N 3.3Å; H191-D193 PolarHBondContact O-N 2.75Å; D193-N195 PolarHBondContact O-N 3.02Å; D193-N195 PolarHBondContact O-ND2 3.41Å
194	C	88.2	Confident	87.4	Confident	15 Å²	15	69.9 Å²	69.9	10%	0.101	36%	0.358	C	S	.	.			trans	-84.8	100.8	178	-47.3	0	0	0	0	110.3	C166 H191 Q192 D199 W200	C166-C194 WeakPolarHBondContact CA-SG 3.05Å; C166-C194 HydrophobicContact CB-CB 3.89Å; C166-C194 WeakPolarHBondContact CB-SG 3.23Å; C166-C194 WeakPolarHBondContact SG-CB 3.45Å; C166-C194 CovalentContact SG-SG 2.02Å; C166-C194 PolarHBondContact SG-SG 2.72Å; H191-C194 WeakPolarHBondContact O-CB 3.36Å; H191-C194 PolarHBondContact O-N 2.95Å; H191-C194 PolarHBondContact O-SG 2.86Å; Q192-C194 VanDerWaalsContact C-N 3.28Å; C194-D199 HydrophobicContact CB-CB 4.25Å; C194-W200 HydrophobicContact CB-CE3 4.22Å; C194-W200 HydrophobicContact CB-CZ3 4.35Å
195	N	84.8	Confident	87.5	Confident	138 Å²	138	71.1 Å²	71.1	74%	0.738	37%	0.374	S	S	*	.			trans	-114.9	-16.1	-167.6	-72.3	-79.7	0	0	0	114.1	D193 D199	D193-N195 PolarHBondContact O-N 3.02Å; D193-N195 PolarHBondContact O-ND2 3.41Å; N195-D199 PolarHBondContact N-OD2 3.19Å
196	S	84	Confident	87.4	Confident	42 Å²	42	70.5 Å²	70.5	29%	0.294	37%	0.372	S	S	.	.	S	Bend	trans	-109.7	146.2	178.6	-175	0	0	0	0	111.3	N198 D199	S196-N198 PolarHBondContact O-N 3.13Å; S196-N198 VanDerWaalsContact O-N 3.1Å; S196-N198 PolarHBondContact OG-N 3.25Å; S196-D199 WeakPolarHBondContact CB-OD1 2.99Å; S196-D199 PolarHBondContact N-OD2 2.77Å; S196-D199 WeakPolarHBondContact O-CB 3.3Å; S196-D199 PolarHBondContact O-N 2.83Å
197	P	80.2	Confident	87.4	Confident	88 Å²	88	73.7 Å²	73.7	57%	0.571	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-54.6	-25.2	167.5	-25.7	35.6	0	0	0	113.9	D199 W200	P197-D199 VanDerWaalsContact C-N 3.32Å; P197-W200 VanDerWaalsContact O-CD1 3.31Å; P197-W200 PolarHBondContact O-NE1 3.45Å
198	N	83.1	Confident	87.7	Confident	126 Å²	126	73.6 Å²	73.6	67%	0.674	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-72.5	-24.5	176.7	-64.6	6.6	0	0	0	112.6	S196 W200 S201	S196-N198 PolarHBondContact O-N 3.13Å; S196-N198 VanDerWaalsContact O-N 3.1Å; S196-N198 PolarHBondContact OG-N 3.25Å; N198-W200 PolarHBondContact O-N 3.28Å; N198-S201 PolarHBondContact O-N 3.2Å; N198-S201 VanDerWaalsContact O-N 3.16Å
199	D	83.7	Confident	88	Confident	57 Å²	57	67.6 Å²	67.6	31%	0.305	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-68.8	-22.1	-174.9	-57.8	-16.3	0	0	0	112.1	C166 H167 C194 N195 S196 P197	C166-D199 HydrophobicContact CB-CB 4.27Å; C166-D199 WeakPolarHBondContact CB-O 3.36Å; H167-D199 PolarHBondContact CE1-O 2.68Å; C194-D199 HydrophobicContact CB-CB 4.25Å; N195-D199 PolarHBondContact N-OD2 3.19Å; S196-D199 WeakPolarHBondContact CB-OD1 2.99Å; S196-D199 PolarHBondContact N-OD2 2.77Å; S196-D199 WeakPolarHBondContact O-CB 3.3Å; S196-D199 PolarHBondContact O-N 2.83Å; P197-D199 VanDerWaalsContact C-N 3.32Å
200	W	84.3	Confident	88.3	Confident	89 Å²	89	64.1 Å²	64.1	34%	0.337	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-117.6	16.8	174.9	57.4	61.6	0	0	0	112.6	T170 C194 P197 N198 C202	T170-W200 HydrophobicContact CG2-CB 4.15Å; T170-W200 WeakPolarHBondContact CG2-O 3.4Å; C194-W200 HydrophobicContact CB-CE3 4.22Å; C194-W200 HydrophobicContact CB-CZ3 4.35Å; P197-W200 VanDerWaalsContact O-CD1 3.31Å; P197-W200 PolarHBondContact O-NE1 3.45Å; N198-W200 PolarHBondContact O-N 3.28Å; W200-C202 PolarHBondContact O-N 3.21Å
201	S	87.3	Confident	88.4	Confident	66 Å²	66	64 Å²	64	46%	0.462	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-78.3	117.8	178	-171.6	0	0	0	0	110.2	N198	N198-S201 PolarHBondContact O-N 3.2Å; N198-S201 VanDerWaalsContact O-N 3.16Å
202	C	90.8	Very high	88.4	Confident	23 Å²	23	64.9 Å²	64.9	16%	0.155	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-72.3	169.2	165.9	-53.5	0	0	0	0	111.4	W200 C206 C209	W200-C202 PolarHBondContact O-N 3.21Å; C202-C206 HydrophobicContact CB-CB 3.75Å; C202-C209 WeakPolarHBondContact CA-SG 3.23Å; C202-C209 HydrophobicContact CB-CB 3.65Å; C202-C209 WeakPolarHBondContact CB-SG 3.38Å; C202-C209 WeakPolarHBondContact SG-CB 3.45Å; C202-C209 PolarHBondContact SG-N 2.86Å; C202-C209 VanDerWaalsContact SG-N 3.45Å; C202-C209 CovalentContact SG-SG 2.03Å; C202-C209 PolarHBondContact SG-SG 3.09Å
203	D	93.2	Very high	88.7	Confident	39 Å²	39	66.6 Å²	66.6	21%	0.209	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-57.9	151	161.7	179.4	-97.4	0	0	0	111.1	S205 C206 A214	D203-S205 PolarHBondContact O-N 2.9Å; D203-S205 VanDerWaalsContact O-N 3.09Å; D203-S205 VanDerWaalsContact OD1-CB 3.29Å; D203-S205 WeakPolarHBondContact OD1-CB 3.28Å; D203-S205 PolarHBondContact OD1-N 2.92Å; D203-S205 PolarHBondContact OD1-OG 2.58Å; D203-C206 PolarHBondContact O-N 3.45Å; D203-A214 HydrophobicContact CB-CB 4.13Å
204	F	92.2	Very high	88.8	Confident	196 Å²	196	66 Å²	66	86%	0.86	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-18.5	-176.4	72.9	-84.3	0	0	0	114.3
205	S	92	Very high	88.9	Confident	73 Å²	73	70.3 Å²	70.3	51%	0.51	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-16.9	174.5	65.1	0	0	0	0	113.8	D203	D203-S205 PolarHBondContact O-N 2.9Å; D203-S205 VanDerWaalsContact O-N 3.09Å; D203-S205 VanDerWaalsContact OD1-CB 3.29Å; D203-S205 WeakPolarHBondContact OD1-CB 3.28Å; D203-S205 PolarHBondContact OD1-N 2.92Å; D203-S205 PolarHBondContact OD1-OG 2.58Å
206	C	90.7	Very high	89.2	Confident	18 Å²	18	65 Å²	65	12%	0.122	36%	0.362	C	S	.	.			trans	-95.7	139.7	-178.9	-45.8	0	0	0	0	112.1	C202 D203 C209 C217	C202-C206 HydrophobicContact CB-CB 3.75Å; D203-C206 PolarHBondContact O-N 3.45Å; C206-C209 HydrophobicContact CB-CB 4.34Å; C206-C217 VanDerWaalsContact CA-SG 3.54Å; C206-C217 HydrophobicContact CB-CB 3.82Å; C206-C217 WeakPolarHBondContact CB-SG 3.04Å; C206-C217 WeakPolarHBondContact SG-CA 3.07Å; C206-C217 WeakPolarHBondContact SG-CB 3.32Å; C206-C217 CovalentContact SG-SG 2.04Å; C206-C217 PolarHBondContact SG-SG 3.39Å
207	T	89.7	Confident	89.7	Confident	123 Å²	123	64.2 Å²	64.2	76%	0.755	36%	0.356	S	S	*	.	S	Bend	trans	-85.8	-33	162.5	-48.7	0	0	0	0	112
208	H	93.4	Very high	90.3	Very high	66 Å²	66	61 Å²	61	31%	0.306	33%	0.333	S	S	.	.	S	Bend	trans	-140.4	146.4	-177.1	-55.8	-65.6	0	0	0	107.6	T170 Q218	T170-H208 PolarHBondContact O-ND1 2.03Å; H208-Q218 HydrophobicContact CB-CB 3.95Å; H208-Q218 PolarHBondContact O-N 3.46Å
209	C	94.1	Very high	90.5	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-152.8	155.3	-175.5	62	0	0	0	0	114	T170 L171 C202 C206 G211 E216	T170-C209 PolarHBondContact OG1-N 3.49Å; T170-C209 VanDerWaalsContact OG1-N 3.14Å; T170-C209 PolarHBondContact OG1-O 3.11Å; T170-C209 VanDerWaalsContact OG1-O 3.08Å; L171-C209 WeakPolarHBondContact CD2-O 3.29Å; C202-C209 WeakPolarHBondContact CA-SG 3.23Å; C202-C209 HydrophobicContact CB-CB 3.65Å; C202-C209 WeakPolarHBondContact CB-SG 3.38Å; C202-C209 WeakPolarHBondContact SG-CB 3.45Å; C202-C209 PolarHBondContact SG-N 2.86Å; C202-C209 VanDerWaalsContact SG-N 3.45Å; C202-C209 CovalentContact SG-SG 2.03Å; C202-C209 PolarHBondContact SG-SG 3.09Å; C206-C209 HydrophobicContact CB-CB 4.34Å; C209-G211 VanDerWaalsContact CB-O 3.26Å; C209-G211 WeakPolarHBondContact CB-O 3.04Å; C209-G211 PolarHBondContact SG-O 2.77Å; C209-E216 CarbonylContact C-O 3.5Å; C209-E216 WeakPolarHBondContact CA-O 3.41Å; C209-E216 WeakPolarHBondContact CB-O 3.14Å
210	W	92.9	Very high	90.4	Very high	1 Å²	1	58.1 Å²	58.1	0%	0.004	32%	0.322	C	S	.	.	S	Bend	trans	-87.4	-21.2	172.6	-58.1	94.4	0	0	0	112.6	L146 L149 H167 W168 L171 L176 E216	L146-W210 HydrophobicContact CB-CD2 3.94Å; L146-W210 HydrophobicContact CB-CE3 3.81Å; L146-W210 HydrophobicContact CB-CH2 3.96Å; L146-W210 HydrophobicContact CB-CZ2 4.07Å; L146-W210 HydrophobicContact CB-CZ3 3.83Å; L146-W210 HydrophobicContact CD1-CE3 4.43Å; L146-W210 HydrophobicContact CD1-CH2 4.25Å; L146-W210 HydrophobicContact CD1-CZ3 3.87Å; L146-W210 HydrophobicContact CG-CE3 4.3Å; L146-W210 HydrophobicContact CG-CZ3 4.21Å; L146-W210 WeakPolarHBondContact O-CZ2 3.43Å; L146-W210 PolarHBondContact O-NE1 2.77Å; L146-W210 VanDerWaalsContact O-NE1 3.13Å; L149-W210 HydrophobicContact CB-CZ2 4.32Å; L149-W210 HydrophobicContact CD2-CH2 4.13Å; H167-W210 WeakPolarHBondContact CB-O 3.47Å; W168-W210 HydrophobicContact CD2-CE3 4.18Å; W168-W210 HydrophobicContact CD2-CZ3 4.01Å; W168-W210 AromaticContact CE2-CE3 3.57Å; W168-W210 AromaticContact CE2-CZ3 3.58Å; W168-W210 HydrophobicContact CE3-CZ3 4.25Å; W168-W210 AromaticContact CH2-CZ3 3.87Å; W168-W210 HydrophobicContact CH2-CZ3 3.87Å; W168-W210 AromaticContact CZ2-CE3 3.81Å; W168-W210 HydrophobicContact CZ2-CE3 3.81Å; W168-W210 AromaticContact CZ2-CZ3 3.52Å; W168-W210 HydrophobicContact CZ2-CZ3 3.52Å; W168-W210 HydrophobicContact CZ3-CZ3 4.2Å; W168-W210 AromaticContact NE1-CE3 3.56Å; L171-W210 HydrophobicContact CD1-CD2 4.08Å; L171-W210 HydrophobicContact CD1-CE3 3.49Å; L171-W210 VanDerWaalsContact CD1-CE3 3.49Å; L171-W210 HydrophobicContact CD1-CH2 3.8Å; L171-W210 HydrophobicContact CD1-CZ2 4.35Å; L171-W210 HydrophobicContact CD1-CZ3 3.31Å; L171-W210 HydrophobicContact CD2-CD2 3.71Å; L171-W210 HydrophobicContact CD2-CE3 4.01Å; L171-W210 HydrophobicContact CD2-CG 4.1Å; L171-W210 HydrophobicContact CD2-CH2 4.43Å; L171-W210 HydrophobicContact CD2-CZ2 4.16Å; L171-W210 HydrophobicContact CD2-CZ3 4.36Å; L171-W210 HydrophobicContact CG-CE3 4.39Å; L171-W210 HydrophobicContact CG-CZ3 4.48Å; L176-W210 HydrophobicContact CD1-CH2 3.76Å; L176-W210 HydrophobicContact CD1-CZ2 4.11Å; L176-W210 HydrophobicContact CD2-CZ2 4.49Å; W210-E216 HydrophobicContact CB-CB 4.48Å; W210-E216 PolarHBondContact N-O 2.85Å
211	G	90.6	Very high	90.2	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.315	C	S	.	.	S	Bend	trans	-165.6	-172.8	178.3	0	0	0	0	0	111.6	H167 C209 E216	H167-G211 VanDerWaalsContact CD2-C 3.5Å; C209-G211 VanDerWaalsContact CB-O 3.26Å; C209-G211 WeakPolarHBondContact CB-O 3.04Å; C209-G211 PolarHBondContact SG-O 2.77Å; G211-E216 WeakPolarHBondContact CA-OE2 3.27Å
212	P	88.6	Confident	89.8	Confident	57 Å²	57	57.8 Å²	57.8	37%	0.37	31%	0.311	S	S	.	.	S	Bend	trans	-82.8	-14.7	-165.8	32.4	-36.8	0	0	0	114.6	H143	H143-P212 VanDerWaalsContact CE1-CD 3.49Å; H143-P212 WeakPolarHBondContact CE1-CD 3.5Å
213	E	90.3	Very high	89.3	Confident	116 Å²	116	60 Å²	60	54%	0.542	32%	0.322	S	S	.	.	S	Bend	trans	-86.1	152.2	-177.2	-68.1	-173.4	-171.4	0	0	112.5	N215 E216	E213-N215 WeakPolarHBondContact CB-OD1 3.3Å; E213-N215 PolarHBondContact O-N 3.02Å; E213-N215 PolarHBondContact OE2-ND2 2.71Å; E213-N215 PolarHBondContact OE2-OD1 2.78Å; E213-E216 WeakPolarHBondContact O-CA 3.37Å; E213-E216 WeakPolarHBondContact O-CB 3.42Å; E213-E216 PolarHBondContact O-N 3.28Å
214	A	91.1	Very high	88.9	Confident	54 Å²	54	59.3 Å²	59.3	45%	0.446	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-65.9	-19.5	-179.2	0	0	0	0	0	114.4	D203 E216 C217	D203-A214 HydrophobicContact CB-CB 4.13Å; A214-E216 VanDerWaalsContact C-N 3.27Å; A214-C217 PolarHBondContact O-SG 2.88Å
215	N	90.8	Very high	88.7	Confident	105 Å²	105	50.8 Å²	50.8	56%	0.561	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-79.4	-7	170.5	58.4	4.8	0	0	0	112.7	P147 E213	P147-N215 WeakPolarHBondContact CB-O 3.49Å; E213-N215 WeakPolarHBondContact CB-OD1 3.3Å; E213-N215 PolarHBondContact O-N 3.02Å; E213-N215 PolarHBondContact OE2-ND2 2.71Å; E213-N215 PolarHBondContact OE2-OD1 2.78Å
216	E	91.1	Very high	88.4	Confident	26 Å²	26	47.6 Å²	47.6	12%	0.121	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-107	11.7	176.7	-62.7	-166.5	115.9	0	0	112.9	C209 W210 G211 E213 A214 Q218	C209-E216 CarbonylContact C-O 3.5Å; C209-E216 WeakPolarHBondContact CA-O 3.41Å; C209-E216 WeakPolarHBondContact CB-O 3.14Å; W210-E216 HydrophobicContact CB-CB 4.48Å; W210-E216 PolarHBondContact N-O 2.85Å; G211-E216 WeakPolarHBondContact CA-OE2 3.27Å; E213-E216 WeakPolarHBondContact O-CA 3.37Å; E213-E216 WeakPolarHBondContact O-CB 3.42Å; E213-E216 PolarHBondContact O-N 3.28Å; A214-E216 VanDerWaalsContact C-N 3.27Å; E216-Q218 PolarHBondContact O-N 3.04Å
217	C	93.4	Very high	88.2	Confident	26 Å²	26	53 Å²	53	18%	0.176	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-54.3	140.5	166.1	-62.5	0	0	0	0	110.3	C206 A214 E219	C206-C217 VanDerWaalsContact CA-SG 3.54Å; C206-C217 HydrophobicContact CB-CB 3.82Å; C206-C217 WeakPolarHBondContact CB-SG 3.04Å; C206-C217 WeakPolarHBondContact SG-CA 3.07Å; C206-C217 WeakPolarHBondContact SG-CB 3.32Å; C206-C217 CovalentContact SG-SG 2.04Å; C206-C217 PolarHBondContact SG-SG 3.39Å; A214-C217 PolarHBondContact O-SG 2.88Å; C217-E219 PolarHBondContact O-N 2.78Å
218	Q	92.7	Very high	88.1	Confident	19 Å²	19	53.4 Å²	53.4	9%	0.089	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-76.6	124.2	167.2	-173.2	-166.7	2.1	0	0	108.9	L171 D172 H208 E216	L171-Q218 HydrophobicContact CD2-CB 3.91Å; L171-Q218 HydrophobicContact CD2-CG 4.12Å; D172-Q218 PolarHBondContact O-NE2 3.11Å; H208-Q218 HydrophobicContact CB-CB 3.95Å; H208-Q218 PolarHBondContact O-N 3.46Å; E216-Q218 PolarHBondContact O-N 3.04Å
219	E	86.9	Confident	87.7	Confident	76 Å²	76	50.8 Å²	50.8	36%	0.355	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-81.5	126.8	178.4	-58.5	-174.2	128	0	0	111.2	R150 C217 Y221	R150-E219 IonicContact CZ-OE2 2.72Å; R150-E219 IonicContact NH2-OE2 2.81Å; R150-E219 PolarHBondContact NH2-OE2 3.38Å; C217-E219 PolarHBondContact O-N 2.78Å; E219-Y221 HydrophobicContact CB-CD2 4.08Å; E219-Y221 HydrophobicContact CB-CE2 3.24Å; E219-Y221 HydrophobicContact CG-CE2 4.27Å; E219-Y221 PolarHBondContact OE1-OH 3.47Å; E219-Y221 VanDerWaalsContact OE2-CE2 3.32Å; E219-Y221 WeakPolarHBondContact OE2-CE2 3.34Å; E219-Y221 VanDerWaalsContact OE2-CZ 3.31Å; E219-Y221 PolarHBondContact OE2-OH 2.9Å
220	A	82.8	Confident	87.4	Confident	47 Å²	47	55.2 Å²	55.2	39%	0.388	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-88.9	127	176.8	0	0	0	0	0	110.8	N224	A220-N224 PolarHBondContact O-ND2 3.27Å
221	Y	79.9	Confident	87	Confident	48 Å²	48	55.7 Å²	55.7	19%	0.188	31%	0.312	C	S	.	.			trans	-125.3	-53.5	-175	-73.2	-62.3	0	0	0	113.3	R150 E219 D223 N224 C225	R150-Y221 HydrophobicContact CB-CD2 4.13Å; R150-Y221 HydrophobicContact CG-CD2 3.92Å; R150-Y221 HydrophobicContact CG-CE2 3.89Å; R150-Y221 VanDerWaalsContact CZ-CE2 3.47Å; R150-Y221 PolarHBondContact NH1-OH 3.07Å; R150-Y221 PolarHBondContact NH2-OH 3.12Å; R150-Y221 VanDerWaalsContact NH2-OH 3.1Å; E219-Y221 HydrophobicContact CB-CD2 4.08Å; E219-Y221 HydrophobicContact CB-CE2 3.24Å; E219-Y221 HydrophobicContact CG-CE2 4.27Å; E219-Y221 PolarHBondContact OE1-OH 3.47Å; E219-Y221 VanDerWaalsContact OE2-CE2 3.32Å; E219-Y221 WeakPolarHBondContact OE2-CE2 3.34Å; E219-Y221 VanDerWaalsContact OE2-CZ 3.31Å; E219-Y221 PolarHBondContact OE2-OH 2.9Å; Y221-D223 PolarHBondContact O-N 3.1Å; Y221-N224 PolarHBondContact O-N 3.41Å; Y221-N224 VanDerWaalsContact O-N 3.16Å; Y221-C225 PolarHBondContact O-SG 3.32Å
222	R	78.6	Confident	86.8	Confident	101 Å²	101	57.4 Å²	57.4	38%	0.381	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-61.1	-45.4	-172.5	-166.8	-177.2	-179.1	102.6	-2.9	112	D179 N224 C225	D179-R222 IonicContact OD2-NH2 3.67Å; D179-R222 PolarHBondContact OD2-NH2 3.44Å; R222-N224 VanDerWaalsContact C-N 3.27Å; R222-N224 PolarHBondContact O-N 3.02Å; R222-C225 PolarHBondContact O-N 3.1Å
223	D	80.9	Confident	86.8	Confident	69 Å²	69	55.9 Å²	55.9	37%	0.369	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-72.5	-20.8	-178	-65.7	25.1	0	0	0	112.4	R174 Q175 Y221 Y238	R174-D223 IonicContact NH2-OD2 3.69Å; R174-D223 PolarHBondContact NH2-OD2 3.1Å; Q175-D223 PolarHBondContact NE2-OD1 2.85Å; Q175-D223 PolarHBondContact NE2-OD2 3.25Å; Y221-D223 PolarHBondContact O-N 3.1Å; D223-Y238 WeakPolarHBondContact O-CE1 3.36Å; D223-Y238 PolarHBondContact O-OH 3.39Å
224	N	84.4	Confident	86.9	Confident	25 Å²	25	50.6 Å²	50.6	13%	0.134	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-83.1	-10.6	-178.6	-80.9	-42.1	0	0	0	113.5	A220 Y221 R222 K237 Y238	A220-N224 PolarHBondContact O-ND2 3.27Å; Y221-N224 PolarHBondContact O-N 3.41Å; Y221-N224 VanDerWaalsContact O-N 3.16Å; R222-N224 VanDerWaalsContact C-N 3.27Å; R222-N224 PolarHBondContact O-N 3.02Å; N224-K237 HydrophobicContact CB-CG 4.17Å; N224-K237 WeakPolarHBondContact O-CA 3.4Å; N224-Y238 PolarHBondContact O-N 3.36Å
225	C	86.9	Confident	86.8	Confident	16 Å²	16	51.6 Å²	51.6	11%	0.108	29%	0.288	C	S	.	.	S	Bend	trans	-81.2	148	-173.8	-57.4	0	0	0	0	113	Y221 R222 M233 C234	Y221-C225 PolarHBondContact O-SG 3.32Å; R222-C225 PolarHBondContact O-N 3.1Å; C225-M233 VanDerWaalsContact SG-C 3.53Å; C225-C234 WeakPolarHBondContact CA-SG 3.35Å; C225-C234 HydrophobicContact CB-CB 3.78Å; C225-C234 WeakPolarHBondContact CB-SG 3.11Å; C225-C234 WeakPolarHBondContact SG-CB 3.41Å; C225-C234 PolarHBondContact SG-N 3.26Å; C225-C234 CovalentContact SG-SG 2.05Å; C225-C234 PolarHBondContact SG-SG 3.24Å
226	A	87	Confident	86.6	Confident	7 Å²	7	47.6 Å²	47.6	6%	0.058	27%	0.272	C	S	.	.			trans	-68.9	140.6	173.2	0	0	0	0	0	110	Q228 C229 P240	A226-Q228 PolarHBondContact O-N 3.09Å; A226-C229 WeakPolarHBondContact O-CB 2.95Å; A226-C229 PolarHBondContact O-N 2.74Å; A226-C229 PolarHBondContact O-SG 2.77Å; A226-C229 VanDerWaalsContact O-SG 3.33Å; A226-P240 HydrophobicContact CB-CG 4.11Å
227	P	85.8	Confident	86.3	Confident	130 Å²	130	53.1 Å²	53.1	84%	0.844	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-15.1	-178.8	-27.6	35.8	0	0	0	115.6
228	Q	87.2	Confident	85.7	Confident	133 Å²	133	59.3 Å²	59.3	62%	0.621	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-10.9	177.2	-58.5	81.9	-1.7	0	0	113.8	A226 S230 P240	A226-Q228 PolarHBondContact O-N 3.09Å; Q228-S230 PolarHBondContact O-N 2.88Å; Q228-S230 VanDerWaalsContact O-N 3.12Å; Q228-P240 HydrophobicContact CB-CG 4.43Å; Q228-P240 HydrophobicContact CG-CG 4.38Å
229	C	86.7	Confident	85.3	Confident	11 Å²	11	61.1 Å²	61.1	7%	0.074	33%	0.327	C	S	.	.			trans	-71.2	106.6	-177.5	-59.4	0	0	0	0	111.6	A226 S231 G232 C243	A226-C229 WeakPolarHBondContact O-CB 2.95Å; A226-C229 PolarHBondContact O-N 2.74Å; A226-C229 PolarHBondContact O-SG 2.77Å; A226-C229 VanDerWaalsContact O-SG 3.33Å; C229-S231 VanDerWaalsContact C-N 3.3Å; C229-S231 PolarHBondContact O-N 3.5Å; C229-G232 WeakPolarHBondContact O-CA 3.27Å; C229-G232 PolarHBondContact O-N 3.18Å; C229-C243 WeakPolarHBondContact CA-SG 3.37Å; C229-C243 HydrophobicContact CB-CB 3.67Å; C229-C243 WeakPolarHBondContact CB-SG 2.9Å; C229-C243 WeakPolarHBondContact SG-CA 3.44Å; C229-C243 WeakPolarHBondContact SG-CB 3.43Å; C229-C243 CovalentContact SG-SG 2.04Å; C229-C243 PolarHBondContact SG-SG 3.28Å
230	S	87.9	Confident	85.3	Confident	92 Å²	92	60.8 Å²	60.8	64%	0.643	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-31.8	-176	55.6	0	0	0	0	114.6	Q228 G232	Q228-S230 PolarHBondContact O-N 2.88Å; Q228-S230 VanDerWaalsContact O-N 3.12Å; S230-G232 VanDerWaalsContact C-N 3.28Å
231	S	84.4	Confident	85.5	Confident	12 Å²	12	64.1 Å²	64.1	8%	0.084	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-16.4	172.4	51	0	0	0	0	113.6	C229 M233 C244 H245	C229-S231 VanDerWaalsContact C-N 3.3Å; C229-S231 PolarHBondContact O-N 3.5Å; S231-M233 PolarHBondContact O-N 3.41Å; S231-M233 PolarHBondContact OG-N 2.77Å; S231-M233 PolarHBondContact OG-O 2.8Å; S231-C244 PolarHBondContact OG-O 2.88Å; S231-H245 VanDerWaalsContact CB-O 3.32Å; S231-H245 WeakPolarHBondContact CB-O 3.47Å
232	G	85.7	Confident	86	Confident	36 Å²	36	65.8 Å²	65.8	37%	0.371	35%	0.345	S	S	.	.	S	Bend	trans	67.8	12.2	-165.7	0	0	0	0	0	113.8	C229 S230	C229-G232 WeakPolarHBondContact O-CA 3.27Å; C229-G232 PolarHBondContact O-N 3.18Å; S230-G232 VanDerWaalsContact C-N 3.28Å
233	M	88.7	Confident	86.6	Confident	24 Å²	24	62 Å²	62	12%	0.118	33%	0.333	C	S	.	.			trans	-124.4	151.1	-174.4	-58.3	-64.7	163.9	0	0	110.9	V151 C225 S231 C244	V151-M233 HydrophobicContact CG2-CE 3.78Å; V151-M233 HydrophobicContact CG2-SD 4.42Å; C225-M233 VanDerWaalsContact SG-C 3.53Å; S231-M233 PolarHBondContact O-N 3.41Å; S231-M233 PolarHBondContact OG-N 2.77Å; S231-M233 PolarHBondContact OG-O 2.8Å; M233-C244 VanDerWaalsContact C-SG 3.57Å; M233-C244 HydrophobicContact CB-CB 3.98Å; M233-C244 PolarHBondContact O-N 3.45Å
234	C	91.1	Very high	87.2	Confident	5 Å²	5	58.9 Å²	58.9	3%	0.034	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-153.7	160.8	-177.3	57.4	0	0	0	0	112.3	C225 G236 Y242 C244	C225-C234 WeakPolarHBondContact CA-SG 3.35Å; C225-C234 HydrophobicContact CB-CB 3.78Å; C225-C234 WeakPolarHBondContact CB-SG 3.11Å; C225-C234 WeakPolarHBondContact SG-CB 3.41Å; C225-C234 PolarHBondContact SG-N 3.26Å; C225-C234 CovalentContact SG-SG 2.05Å; C225-C234 PolarHBondContact SG-SG 3.24Å; C234-G236 PolarHBondContact SG-O 3.24Å; C234-G236 VanDerWaalsContact SG-O 3.39Å; C234-Y242 CarbonylContact C-O 3.54Å; C234-Y242 WeakPolarHBondContact CA-O 3.45Å; C234-Y242 WeakPolarHBondContact CB-O 3.3Å; C234-C244 PolarHBondContact N-SG 3.15Å
235	F	89.3	Confident	87.7	Confident	76 Å²	76	61 Å²	61	33%	0.333	33%	0.326	S	S	.	.	S	Bend	trans	-112	14.8	177.3	65.6	-84.4	0	0	0	113.4	Y242 C252	F235-Y242 WeakPolarHBondContact CD1-O 3.45Å; F235-Y242 HydrophobicContact CD2-CD1 4.03Å; F235-Y242 WeakPolarHBondContact CE1-O 2.93Å; F235-Y242 AromaticContact CE2-CD1 3.63Å; F235-Y242 HydrophobicContact CE2-CD1 3.63Å; F235-Y242 HydrophobicContact CE2-CE1 4.28Å; F235-Y242 AromaticContact CZ-CD1 3.91Å; F235-Y242 HydrophobicContact CZ-CD1 3.91Å; F235-Y242 PolarHBondContact N-O 2.93Å; F235-C252 VanDerWaalsContact CB-O 3.26Å; F235-C252 WeakPolarHBondContact CB-O 3.34Å; F235-C252 WeakPolarHBondContact CD1-SG 3.4Å
236	G	86.3	Confident	88	Confident	21 Å²	21	61.9 Å²	61.9	22%	0.216	33%	0.334	C	S	.	.	S	Bend	trans	-169.7	174.6	-177.3	0	0	0	0	0	111.2	C234	C234-G236 PolarHBondContact SG-O 3.24Å; C234-G236 VanDerWaalsContact SG-O 3.39Å
237	K	86.2	Confident	88.3	Confident	141 Å²	141	63.3 Å²	63.3	61%	0.613	34%	0.34	S	S	*	.	S	Bend	trans	-97.1	131.1	-167.9	-59.9	-172.6	177.1	-178.9	0	113.2	N224 N239	N224-K237 HydrophobicContact CB-CG 4.17Å; N224-K237 WeakPolarHBondContact O-CA 3.4Å; K237-N239 PolarHBondContact O-N 3.34Å
238	Y	79.6	Confident	88.6	Confident	156 Å²	156	57.3 Å²	57.3	61%	0.612	30%	0.301	S	S	*	.	S	Bend	trans	47.5	29.6	165.6	-55	-72.3	0	0	0	117.2	D223 N224	D223-Y238 WeakPolarHBondContact O-CE1 3.36Å; D223-Y238 PolarHBondContact O-OH 3.39Å; N224-Y238 PolarHBondContact O-N 3.36Å
239	N	84.8	Confident	88.7	Confident	58 Å²	58	51.3 Å²	51.3	31%	0.31	27%	0.274	S	S	.	.			trans	-134.3	128.5	177.2	-176.3	-27.3	0	0	0	110.5	K237 Q241 Y242	K237-N239 PolarHBondContact O-N 3.34Å; N239-Q241 HydrophobicContact CB-CG 4.33Å; N239-Q241 PolarHBondContact ND2-NE2 2.92Å; N239-Q241 PolarHBondContact ND2-OE1 3.02Å; N239-Q241 PolarHBondContact O-N 3.02Å; N239-Q241 VanDerWaalsContact O-N 3.1Å; N239-Q241 WeakPolarHBondContact OD1-CG 3.49Å; N239-Q241 PolarHBondContact OD1-N 2.8Å; N239-Y242 HydrophobicContact CB-CD2 3.78Å; N239-Y242 HydrophobicContact CB-CE2 4.05Å; N239-Y242 PolarHBondContact O-N 3.22Å
240	P	87.1	Confident	88.7	Confident	69 Å²	69	50.8 Å²	50.8	45%	0.448	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-53.7	-26.1	177.4	-28.7	36.3	0	0	0	115.5	A226 Q228 Y242 C243	A226-P240 HydrophobicContact CB-CG 4.11Å; Q228-P240 HydrophobicContact CB-CG 4.43Å; Q228-P240 HydrophobicContact CG-CG 4.38Å; P240-Y242 PolarHBondContact O-N 2.99Å; P240-C243 WeakPolarHBondContact O-CB 3.47Å; P240-C243 PolarHBondContact O-N 3.28Å; P240-C243 PolarHBondContact O-SG 3.13Å
241	Q	88.1	Confident	88.7	Confident	117 Å²	117	46.4 Å²	46.4	55%	0.547	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-64.3	-18.1	176.4	82.6	-167.3	6.9	0	0	113.5	N239	N239-Q241 HydrophobicContact CB-CG 4.33Å; N239-Q241 PolarHBondContact ND2-NE2 2.92Å; N239-Q241 PolarHBondContact ND2-OE1 3.02Å; N239-Q241 PolarHBondContact O-N 3.02Å; N239-Q241 VanDerWaalsContact O-N 3.1Å; N239-Q241 WeakPolarHBondContact OD1-CG 3.49Å; N239-Q241 PolarHBondContact OD1-N 2.8Å
242	Y	89.8	Confident	89.1	Confident	82 Å²	82	45.9 Å²	45.9	32%	0.322	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-98.2	9.8	179.3	-60	-48.9	0	0	0	113.5	C234 F235 N239 P240	C234-Y242 CarbonylContact C-O 3.54Å; C234-Y242 WeakPolarHBondContact CA-O 3.45Å; C234-Y242 WeakPolarHBondContact CB-O 3.3Å; F235-Y242 WeakPolarHBondContact CD1-O 3.45Å; F235-Y242 HydrophobicContact CD2-CD1 4.03Å; F235-Y242 WeakPolarHBondContact CE1-O 2.93Å; F235-Y242 AromaticContact CE2-CD1 3.63Å; F235-Y242 HydrophobicContact CE2-CD1 3.63Å; F235-Y242 HydrophobicContact CE2-CE1 4.28Å; F235-Y242 AromaticContact CZ-CD1 3.91Å; F235-Y242 HydrophobicContact CZ-CD1 3.91Å; F235-Y242 PolarHBondContact N-O 2.93Å; N239-Y242 HydrophobicContact CB-CD2 3.78Å; N239-Y242 HydrophobicContact CB-CE2 4.05Å; N239-Y242 PolarHBondContact O-N 3.22Å; P240-Y242 PolarHBondContact O-N 2.99Å
243	C	91.2	Very high	89.4	Confident	21 Å²	21	49.8 Å²	49.8	14%	0.142	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-69.3	138.4	175.6	-63.1	0	0	0	0	111.5	C229 P240	C229-C243 WeakPolarHBondContact CA-SG 3.37Å; C229-C243 HydrophobicContact CB-CB 3.67Å; C229-C243 WeakPolarHBondContact CB-SG 2.9Å; C229-C243 WeakPolarHBondContact SG-CA 3.44Å; C229-C243 WeakPolarHBondContact SG-CB 3.43Å; C229-C243 CovalentContact SG-SG 2.04Å; C229-C243 PolarHBondContact SG-SG 3.28Å; P240-C243 WeakPolarHBondContact O-CB 3.47Å; P240-C243 PolarHBondContact O-N 3.28Å; P240-C243 PolarHBondContact O-SG 3.13Å
244	C	92.7	Very high	89.6	Confident	4 Å²	4	48.9 Å²	48.9	3%	0.027	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-77	153.3	170.5	-59	0	0	0	0	111.4	S231 M233 C234 C248 C252	S231-C244 PolarHBondContact OG-O 2.88Å; M233-C244 VanDerWaalsContact C-SG 3.57Å; M233-C244 HydrophobicContact CB-CB 3.98Å; M233-C244 PolarHBondContact O-N 3.45Å; C234-C244 PolarHBondContact N-SG 3.15Å; C244-C248 HydrophobicContact CB-CB 3.79Å; C244-C252 WeakPolarHBondContact CA-SG 3.38Å; C244-C252 HydrophobicContact CB-CB 3.72Å; C244-C252 WeakPolarHBondContact CB-SG 3.36Å; C244-C252 WeakPolarHBondContact SG-CB 3.29Å; C244-C252 PolarHBondContact SG-N 2.78Å; C244-C252 CovalentContact SG-SG 2.03Å; C244-C252 PolarHBondContact SG-SG 3.02Å
245	H	94.4	Very high	89.6	Confident	71 Å²	71	52.6 Å²	52.6	33%	0.329	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-49.8	148.2	170.9	-169.4	-106.2	0	0	0	112	S231 E247 C248	S231-H245 VanDerWaalsContact CB-O 3.32Å; S231-H245 WeakPolarHBondContact CB-O 3.47Å; H245-E247 PolarHBondContact ND1-N 3.49Å; H245-E247 PolarHBondContact O-N 2.88Å; H245-E247 VanDerWaalsContact O-N 3.13Å; H245-C248 WeakPolarHBondContact O-CB 3.39Å; H245-C248 PolarHBondContact O-N 2.87Å
246	A	93.5	Very high	89.8	Confident	33 Å²	33	51.2 Å²	51.2	27%	0.273	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-33.1	-174.7	0	0	0	0	0	113.4	C248	A246-C248 VanDerWaalsContact C-N 3.34Å
247	E	94	Very high	90.1	Very high	38 Å²	38	51.6 Å²	51.6	18%	0.178	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	0.9	178.3	-58.3	-46.8	128.8	0	0	114.8	H245 R264 C272	H245-E247 PolarHBondContact ND1-N 3.49Å; H245-E247 PolarHBondContact O-N 2.88Å; H245-E247 VanDerWaalsContact O-N 3.13Å; E247-R264 VanDerWaalsContact O-CB 3.27Å; E247-R264 WeakPolarHBondContact O-CB 3.47Å; E247-R264 PolarHBondContact O-N 2.8Å; E247-C272 HydrophobicContact CB-CB 3.85Å
248	C	92.8	Very high	90.5	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.02	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	141.8	173.4	-62.7	0	0	0	0	112	C244 H245 A246 C260	C244-C248 HydrophobicContact CB-CB 3.79Å; H245-C248 WeakPolarHBondContact O-CB 3.39Å; H245-C248 PolarHBondContact O-N 2.87Å; A246-C248 VanDerWaalsContact C-N 3.34Å; C248-C260 WeakPolarHBondContact CA-SG 3.36Å; C248-C260 HydrophobicContact CB-CB 3.6Å; C248-C260 WeakPolarHBondContact CB-SG 3.02Å; C248-C260 VanDerWaalsContact SG-CA 3.5Å; C248-C260 WeakPolarHBondContact SG-CB 3.2Å; C248-C260 CovalentContact SG-SG 2.03Å; C248-C260 PolarHBondContact SG-SG 3.29Å
249	A	88.6	Confident	91.2	Very high	7 Å²	7	45.5 Å²	45.5	6%	0.058	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	157.2	167.4	0	0	0	0	0	110.8	I114 W116 G251 G262	I114-A249 HydrophobicContact CD1-CB 3.96Å; W116-A249 HydrophobicContact CH2-CB 3.34Å; W116-A249 HydrophobicContact CZ2-CB 4.14Å; W116-A249 HydrophobicContact CZ3-CB 3.99Å; A249-G251 PolarHBondContact O-N 3.45Å; A249-G262 PolarHBondContact N-O 2.72Å; A249-G262 PolarHBondContact O-N 3.38Å
250	A	86.7	Confident	91.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	60	-24.7	-172.1	0	0	0	0	0	116.6	I114 R150 V151	I114-A250 HydrophobicContact CB-CB 4.08Å; I114-A250 HydrophobicContact CD1-CB 4.09Å; R150-A250 HydrophobicContact CB-CB 4.18Å; R150-A250 WeakPolarHBondContact CB-O 3.29Å; R150-A250 WeakPolarHBondContact CD-O 3.08Å; V151-A250 HydrophobicContact CB-CB 4.27Å; V151-A250 HydrophobicContact CG2-CB 4.32Å
251	G	88.7	Confident	91.7	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	146.1	-167.7	-179.8	0	0	0	0	0	111.1	A249 Y261	A249-G251 PolarHBondContact O-N 3.45Å; G251-Y261 PolarHBondContact O-N 2.95Å
252	C	92.3	Very high	91.8	Very high	1 Å²	1	37 Å²	37	1%	0.007	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	172.4	177.9	60.3	0	0	0	0	109.9	F235 C244 G254 D259 Y261	F235-C252 VanDerWaalsContact CB-O 3.26Å; F235-C252 WeakPolarHBondContact CB-O 3.34Å; F235-C252 WeakPolarHBondContact CD1-SG 3.4Å; C244-C252 WeakPolarHBondContact CA-SG 3.38Å; C244-C252 HydrophobicContact CB-CB 3.72Å; C244-C252 WeakPolarHBondContact CB-SG 3.36Å; C244-C252 WeakPolarHBondContact SG-CB 3.29Å; C244-C252 PolarHBondContact SG-N 2.78Å; C244-C252 CovalentContact SG-SG 2.03Å; C244-C252 PolarHBondContact SG-SG 3.02Å; C252-G254 WeakPolarHBondContact CB-O 3.32Å; C252-G254 PolarHBondContact SG-O 2.04Å; C252-D259 CarbonylContact C-O 3.56Å; C252-D259 WeakPolarHBondContact CA-O 3.31Å; C252-D259 HydrophobicContact CB-CB 4.48Å; C252-D259 WeakPolarHBondContact CB-O 3.3Å; C252-Y261 WeakPolarHBondContact O-CE2 3.41Å; C252-Y261 PolarHBondContact O-OH 3.1Å
253	H	92.1	Very high	91.9	Very high	117 Å²	117	33.2 Å²	33.2	54%	0.542	18%	0.175	S	C	.	.	S	Bend	trans	-112.1	11.8	168.3	62.1	79.6	0	0	0	113.1	D259	H253-D259 PolarHBondContact CD2-O 3.19Å; H253-D259 IonicContact CE1-OD1 3.25Å; H253-D259 PolarHBondContact CE1-OD1 3.16Å; H253-D259 PolarHBondContact N-O 3.29Å; H253-D259 IonicContact ND1-OD1 2.83Å; H253-D259 WeakPolarHBondContact NE2-CA 3.42Å
254	G	91.6	Very high	91.9	Very high	6 Å²	6	38.4 Å²	38.4	6%	0.062	19%	0.192	C	C	.	.	S	Bend	trans	179.8	173.1	-175.8	0	0	0	0	0	111.5	C252 D259	C252-G254 WeakPolarHBondContact CB-O 3.32Å; C252-G254 PolarHBondContact SG-O 2.04Å; G254-D259 WeakPolarHBondContact CA-OD2 3.38Å; G254-D259 WeakPolarHBondContact O-CB 3.34Å
255	P	91.5	Very high	91.8	Very high	82 Å²	82	39.4 Å²	39.4	53%	0.532	20%	0.201	S	C	.	.	S	Bend	trans	-83.1	-6	-173	33.4	-35.9	0	0	0	114.8
256	S	93.4	Very high	91.6	Very high	47 Å²	47	37.1 Å²	37.1	33%	0.329	19%	0.191	S	C	.	.	S	Bend	trans	-81.4	156.4	-175.7	-154.9	0	0	0	0	113	R258 D259	S256-R258 PolarHBondContact O-N 3.17Å; S256-D259 WeakPolarHBondContact CA-OD2 3.3Å; S256-D259 WeakPolarHBondContact CB-OD2 3.41Å; S256-D259 PolarHBondContact N-OD2 2.96Å; S256-D259 PolarHBondContact O-N 3.35Å
257	D	93.1	Very high	91.6	Very high	30 Å²	30	38.2 Å²	38.2	16%	0.16	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-20.8	162.4	64.6	-25.3	0	0	0	115.2	R271 C272	D257-R271 WeakPolarHBondContact OD2-CD 3.39Å; D257-R271 VanDerWaalsContact OD2-CG 3.27Å; D257-R271 WeakPolarHBondContact OD2-CG 3.47Å; D257-R271 IonicContact OD2-NE 2.72Å; D257-R271 PolarHBondContact OD2-NE 3.12Å; D257-C272 WeakPolarHBondContact O-CB 3.5Å; D257-C272 PolarHBondContact O-N 3.47Å
258	R	94.7	Very high	91.5	Very high	133 Å²	133	37.7 Å²	37.7	50%	0.502	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-18.3	178.5	-71.9	179.7	158.2	-171.8	-11.5	114.5	S256 C260 R271	S256-R258 PolarHBondContact O-N 3.17Å; R258-C260 VanDerWaalsContact C-N 3.29Å; R258-C260 PolarHBondContact O-N 3.03Å; R258-R271 HydrophobicContact CG-CG 3.67Å
259	D	94.3	Very high	91.4	Very high	35 Å²	35	43.7 Å²	43.7	19%	0.187	22%	0.218	C	C	.	.	S	Bend	trans	-90	4.1	-172.4	-57.3	-41.7	0	0	0	112.6	C252 H253 G254 S256	C252-D259 CarbonylContact C-O 3.56Å; C252-D259 WeakPolarHBondContact CA-O 3.31Å; C252-D259 HydrophobicContact CB-CB 4.48Å; C252-D259 WeakPolarHBondContact CB-O 3.3Å; H253-D259 PolarHBondContact CD2-O 3.19Å; H253-D259 IonicContact CE1-OD1 3.25Å; H253-D259 PolarHBondContact CE1-OD1 3.16Å; H253-D259 PolarHBondContact N-O 3.29Å; H253-D259 IonicContact ND1-OD1 2.83Å; H253-D259 WeakPolarHBondContact NE2-CA 3.42Å; G254-D259 WeakPolarHBondContact CA-OD2 3.38Å; G254-D259 WeakPolarHBondContact O-CB 3.34Å; S256-D259 WeakPolarHBondContact CA-OD2 3.3Å; S256-D259 WeakPolarHBondContact CB-OD2 3.41Å; S256-D259 PolarHBondContact N-OD2 2.96Å; S256-D259 PolarHBondContact O-N 3.35Å
260	C	93.4	Very high	91.3	Very high	16 Å²	16	45.5 Å²	45.5	11%	0.108	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	141.5	-176.2	-51.5	0	0	0	0	112.7	C248 R258 C272	C248-C260 WeakPolarHBondContact CA-SG 3.36Å; C248-C260 HydrophobicContact CB-CB 3.6Å; C248-C260 WeakPolarHBondContact CB-SG 3.02Å; C248-C260 VanDerWaalsContact SG-CA 3.5Å; C248-C260 WeakPolarHBondContact SG-CB 3.2Å; C248-C260 CovalentContact SG-SG 2.03Å; C248-C260 PolarHBondContact SG-SG 3.29Å; R258-C260 VanDerWaalsContact C-N 3.29Å; R258-C260 PolarHBondContact O-N 3.03Å; C260-C272 WeakPolarHBondContact CB-SG 3.37Å; C260-C272 VanDerWaalsContact SG-SG 3.64Å
261	Y	89.9	Confident	91.6	Very high	49 Å²	49	50.5 Å²	50.5	19%	0.192	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	-29.1	171.7	-62.8	-48.1	0	0	0	113.5	R150 G251 C252	R150-Y261 VanDerWaalsContact NH1-CE2 3.3Å; G251-Y261 PolarHBondContact O-N 2.95Å; C252-Y261 WeakPolarHBondContact O-CE2 3.41Å; C252-Y261 PolarHBondContact O-OH 3.1Å
262	G	88.9	Confident	91.9	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	153.7	173	0	0	0	0	0	110.4	A249	A249-G262 PolarHBondContact N-O 2.72Å; A249-G262 PolarHBondContact O-N 3.38Å
263	C	92.2	Very high	92	Very high	4 Å²	4	52.2 Å²	52.2	3%	0.027	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	122.7	-178.8	-59.4	0	0	0	0	111.6	W116 A265 M266 R267 C272 R301	W116-C263 WeakPolarHBondContact CH2-O 3.45Å; W116-C263 VanDerWaalsContact CZ2-O 3.28Å; W116-C263 WeakPolarHBondContact CZ2-O 3.49Å; C263-A265 VanDerWaalsContact C-N 3.26Å; C263-A265 PolarHBondContact O-N 3.35Å; C263-M266 WeakPolarHBondContact CB-O 3.43Å; C263-R267 HydrophobicContact CB-CB 4.36Å; C263-C272 WeakPolarHBondContact CA-SG 3.41Å; C263-C272 HydrophobicContact CB-CB 3.53Å; C263-C272 WeakPolarHBondContact CB-SG 3.37Å; C263-C272 WeakPolarHBondContact SG-CA 3.46Å; C263-C272 WeakPolarHBondContact SG-CB 3.44Å; C263-C272 CovalentContact SG-SG 2.04Å; C263-C272 PolarHBondContact SG-SG 3.3Å; C263-R301 PolarHBondContact O-NH2 2.87Å
264	R	90.3	Very high	92.1	Very high	129 Å²	129	51.1 Å²	51.1	49%	0.487	26%	0.264	S	S	.	.	S	Bend	trans	-54	-40.5	-176.3	-177.6	-179.6	-178.4	139.7	1.9	113.1	E247 R301	E247-R264 VanDerWaalsContact O-CB 3.27Å; E247-R264 WeakPolarHBondContact O-CB 3.47Å; E247-R264 PolarHBondContact O-N 2.8Å; R264-R301 VanDerWaalsContact C-NH2 3.34Å; R264-R301 PolarHBondContact O-NH2 3.46Å
265	A	91.1	Very high	92.1	Very high	26 Å²	26	56.8 Å²	56.8	22%	0.215	29%	0.287	C	S	.	.	S	Bend	trans	-115.9	-83.8	172.2	0	0	0	0	0	110.9	C263 D274 R301	C263-A265 VanDerWaalsContact C-N 3.26Å; C263-A265 PolarHBondContact O-N 3.35Å; A265-D274 WeakPolarHBondContact CB-O 3.46Å; A265-R301 PolarHBondContact O-NH2 2.92Å
266	M	91.2	Very high	92.2	Very high	23 Å²	23	53.5 Å²	53.5	11%	0.113	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	152.4	-171	-58.4	-56.4	-67.3	0	0	113.2	C263 C272 V273 C276 A298 R301 E302	C263-M266 WeakPolarHBondContact CB-O 3.43Å; M266-C272 WeakPolarHBondContact O-CA 3.18Å; M266-V273 HydrophobicContact CB-CG2 3.99Å; M266-V273 PolarHBondContact N-O 2.9Å; M266-V273 PolarHBondContact O-N 3.34Å; M266-C276 VanDerWaalsContact CE-SG 3.58Å; M266-A298 HydrophobicContact CE-CB 3.64Å; M266-R301 CarbonylContact C-O 3.36Å; M266-E302 VanDerWaalsContact CE-O 3.22Å; M266-E302 WeakPolarHBondContact CE-O 3.38Å
267	R	92.4	Very high	92.2	Very high	56 Å²	56	53.1 Å²	53.1	21%	0.211	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	121.3	172.2	-175.7	173.9	-75.2	154.8	-0.9	110.9	E92 C263 R271 R301 E302 C303	E92-R267 IonicContact OE1-CZ 3.38Å; E92-R267 IonicContact OE1-NH1 3.74Å; E92-R267 PolarHBondContact OE1-NH1 3.45Å; E92-R267 IonicContact OE1-NH2 2.9Å; E92-R267 PolarHBondContact OE1-NH2 2.83Å; C263-R267 HydrophobicContact CB-CB 4.36Å; R267-R271 CarbonylContact C-O 3.55Å; R267-R271 VanDerWaalsContact CA-O 3.31Å; R267-R271 WeakPolarHBondContact CA-O 3.28Å; R267-R301 PolarHBondContact N-O 3.24Å; R267-E302 CarbonylContact O-C 3.53Å; R267-E302 WeakPolarHBondContact O-CA 3.48Å; R267-C303 PolarHBondContact O-N 3.37Å
268	D	93.4	Very high	92.1	Very high	27 Å²	27	54.8 Å²	54.8	14%	0.144	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	106.1	178.1	-171.4	26.8	0	0	0	110.5	G270 R271 V273 P277 K296 C303	D268-G270 PolarHBondContact O-N 2.95Å; D268-G270 VanDerWaalsContact O-N 3.08Å; D268-R271 PolarHBondContact N-O 3.24Å; D268-R271 WeakPolarHBondContact O-CB 3.27Å; D268-R271 PolarHBondContact O-N 3.32Å; D268-V273 HydrophobicContact CB-CG1 4.41Å; D268-V273 HydrophobicContact CB-CG2 3.92Å; D268-P277 WeakPolarHBondContact OD2-CG 3.45Å; D268-K296 VanDerWaalsContact OD1-CD 3.28Å; D268-K296 WeakPolarHBondContact OD1-CD 3.26Å; D268-K296 WeakPolarHBondContact OD1-CE 3.34Å; D268-K296 IonicContact OD1-NZ 3.62Å; D268-K296 PolarHBondContact OD1-NZ 3.02Å; D268-C303 HydrophobicContact CB-CB 4.07Å
269	D	89.2	Confident	91.8	Very high	129 Å²	129	49.4 Å²	49.4	69%	0.69	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.5	43.6	-178.1	-57.7	-17.8	0	0	0	114	K296	D269-K296 IonicContact OD1-NZ 2.68Å; D269-K296 PolarHBondContact OD1-NZ 3.5Å; D269-K296 IonicContact OD2-NZ 3.28Å; D269-K296 PolarHBondContact OD2-NZ 2.9Å
270	G	86.8	Confident	91.4	Very high	44 Å²	44	53 Å²	53	45%	0.454	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	4.1	-179.7	0	0	0	0	0	115.7	D268	D268-G270 PolarHBondContact O-N 2.95Å; D268-G270 VanDerWaalsContact O-N 3.08Å
271	R	94.2	Very high	90.9	Very high	106 Å²	106	56 Å²	56	40%	0.4	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	145.2	167.7	-67.5	-176.8	151.2	113.3	0.2	111.2	D257 R258 R267 D268 V273	D257-R271 WeakPolarHBondContact OD2-CD 3.39Å; D257-R271 VanDerWaalsContact OD2-CG 3.27Å; D257-R271 WeakPolarHBondContact OD2-CG 3.47Å; D257-R271 IonicContact OD2-NE 2.72Å; D257-R271 PolarHBondContact OD2-NE 3.12Å; R258-R271 HydrophobicContact CG-CG 3.67Å; R267-R271 CarbonylContact C-O 3.55Å; R267-R271 VanDerWaalsContact CA-O 3.31Å; R267-R271 WeakPolarHBondContact CA-O 3.28Å; D268-R271 PolarHBondContact N-O 3.24Å; D268-R271 WeakPolarHBondContact O-CB 3.27Å; D268-R271 PolarHBondContact O-N 3.32Å; R271-V273 HydrophobicContact CB-CG1 4.28Å
272	C	94.8	Very high	90.5	Very high	6 Å²	6	59.3 Å²	59.3	4%	0.041	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	121.8	167.2	-59.9	0	0	0	0	110.8	E247 D257 C260 C263 M266	E247-C272 HydrophobicContact CB-CB 3.85Å; D257-C272 WeakPolarHBondContact O-CB 3.5Å; D257-C272 PolarHBondContact O-N 3.47Å; C260-C272 WeakPolarHBondContact CB-SG 3.37Å; C260-C272 VanDerWaalsContact SG-SG 3.64Å; C263-C272 WeakPolarHBondContact CA-SG 3.41Å; C263-C272 HydrophobicContact CB-CB 3.53Å; C263-C272 WeakPolarHBondContact CB-SG 3.37Å; C263-C272 WeakPolarHBondContact SG-CA 3.46Å; C263-C272 WeakPolarHBondContact SG-CB 3.44Å; C263-C272 CovalentContact SG-SG 2.04Å; C263-C272 PolarHBondContact SG-SG 3.3Å; M266-C272 WeakPolarHBondContact O-CA 3.18Å
273	V	94.4	Very high	90.1	Very high	32 Å²	32	61 Å²	61	19%	0.194	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	149.3	-176.3	-60.5	0	0	0	0	110.3	M266 D268 R271 K275	M266-V273 HydrophobicContact CB-CG2 3.99Å; M266-V273 PolarHBondContact N-O 2.9Å; M266-V273 PolarHBondContact O-N 3.34Å; D268-V273 HydrophobicContact CB-CG1 4.41Å; D268-V273 HydrophobicContact CB-CG2 3.92Å; R271-V273 HydrophobicContact CB-CG1 4.28Å; V273-K275 VanDerWaalsContact C-N 3.34Å; V273-K275 VanDerWaalsContact CG2-O 3.29Å; V273-K275 WeakPolarHBondContact CG2-O 3.3Å; V273-K275 PolarHBondContact O-N 2.87Å
274	D	92.3	Very high	89.4	Confident	94 Å²	94	65.6 Å²	65.6	50%	0.503	34%	0.338	S	S	.	.	S	Bend	trans	-60.7	-43.4	175.7	175.2	57.5	0	0	0	111.2	A265	A265-D274 WeakPolarHBondContact CB-O 3.46Å
275	K	92.2	Very high	88.8	Confident	125 Å²	125	65.6 Å²	65.6	54%	0.543	35%	0.352	S	S	.	.	S	Bend	trans	-142.7	152.8	-179.3	-65	175.9	-168.3	178.1	0	111.2	V273	V273-K275 VanDerWaalsContact C-N 3.34Å; V273-K275 VanDerWaalsContact CG2-O 3.29Å; V273-K275 WeakPolarHBondContact CG2-O 3.3Å; V273-K275 PolarHBondContact O-N 2.87Å
276	C	93.7	Very high	88.4	Confident	13 Å²	13	67.5 Å²	67.5	9%	0.088	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-66	152.3	172.6	-61.9	0	0	0	0	111.6	M266 T278 C303	M266-C276 VanDerWaalsContact CE-SG 3.58Å; C276-T278 PolarHBondContact O-N 2.89Å; C276-T278 VanDerWaalsContact O-N 3.12Å; C276-C303 WeakPolarHBondContact CA-SG 3.44Å; C276-C303 HydrophobicContact CB-CB 3.79Å; C276-C303 WeakPolarHBondContact CB-SG 3.49Å; C276-C303 WeakPolarHBondContact SG-CA 3.35Å; C276-C303 WeakPolarHBondContact SG-CB 3.42Å; C276-C303 CovalentContact SG-SG 2.04Å; C276-C303 PolarHBondContact SG-SG 3.33Å
277	P	93.1	Very high	87.7	Confident	38 Å²	38	71 Å²	71	25%	0.247	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-55.4	117.9	171.3	-24.5	33.8	0	0	0	110.7	D268 N294 G295 K296	D268-P277 WeakPolarHBondContact OD2-CG 3.45Å; P277-N294 WeakPolarHBondContact CB-O 3.18Å; P277-G295 WeakPolarHBondContact O-CA 3.32Å; P277-K296 PolarHBondContact O-N 2.8Å; P277-K296 VanDerWaalsContact O-O 3.07Å
278	T	91	Very high	87	Confident	65 Å²	65	74.4 Å²	74.4	40%	0.399	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-58.7	141	-172.2	51.5	0	0	0	0	111.8	C276 E280 N292 G295	C276-T278 PolarHBondContact O-N 2.89Å; C276-T278 VanDerWaalsContact O-N 3.12Å; T278-E280 WeakPolarHBondContact CB-O 3.37Å; T278-E280 PolarHBondContact O-N 2.67Å; T278-E280 VanDerWaalsContact O-N 3.1Å; T278-E280 PolarHBondContact OG1-O 2.64Å; T278-N292 WeakPolarHBondContact O-CB 3.36Å; T278-N292 PolarHBondContact O-ND2 3.38Å; T278-G295 WeakPolarHBondContact O-CA 3.28Å
279	P	88.1	Confident	86.4	Confident	21 Å²	21	80.1 Å²	80.1	14%	0.136	42%	0.423	C	S	.	.	S	Bend	trans	-58.2	-23.1	178	-27.8	36.1	0	0	0	114.7	N292 Y297 D316	P279-N292 WeakPolarHBondContact O-CB 3.43Å; P279-N292 PolarHBondContact O-N 2.74Å; P279-Y297 HydrophobicContact CB-CE1 3.95Å; P279-Y297 HydrophobicContact CG-CD1 3.73Å; P279-Y297 HydrophobicContact CG-CE1 3.44Å; P279-Y297 VanDerWaalsContact CG-CE1 3.44Å; P279-D316 HydrophobicContact CG-CB 4.42Å
280	E	87.2	Confident	86.2	Confident	110 Å²	110	77.7 Å²	77.7	51%	0.514	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	152.2	179.3	-59	-176.9	143.6	0	0	110.4	T278 Y289 I290	T278-E280 WeakPolarHBondContact CB-O 3.37Å; T278-E280 PolarHBondContact O-N 2.67Å; T278-E280 VanDerWaalsContact O-N 3.1Å; T278-E280 PolarHBondContact OG1-O 2.64Å; E280-Y289 HydrophobicContact CB-CD1 4.37Å; E280-I290 CarbonylContact C-O 3.56Å; E280-I290 VanDerWaalsContact CA-O 3.31Å; E280-I290 WeakPolarHBondContact CA-O 3.27Å
281	L	82.7	Confident	86.2	Confident	80 Å²	80	83.9 Å²	83.9	42%	0.419	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	138.3	173.6	-67.3	170.3	0	0	0	108.4	D283 Y289 I290 N292	L281-D283 PolarHBondContact O-N 2.7Å; L281-Y289 WeakPolarHBondContact O-CA 3.25Å; L281-I290 HydrophobicContact CB-CG1 4.33Å; L281-I290 PolarHBondContact N-O 3.2Å; L281-I290 WeakPolarHBondContact O-CG1 3.4Å; L281-I290 PolarHBondContact O-N 3.3Å; L281-N292 HydrophobicContact CD1-CB 4.15Å; L281-N292 HydrophobicContact CG-CB 3.93Å
282	Y	80.6	Confident	85.9	Confident	118 Å²	118	79.7 Å²	79.7	46%	0.463	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	118.9	170.5	-178.2	-101.1	0	0	0	109.6	P284 Y289	Y282-P284 HydrophobicContact CE1-CB 4.26Å; Y282-P284 WeakPolarHBondContact O-CD 3.38Å; Y282-Y289 HydrophobicContact CD2-CD2 4.33Å; Y282-Y289 HydrophobicContact CD2-CE1 4.32Å; Y282-Y289 HydrophobicContact CD2-CE2 4.04Å
283	D	80.2	Confident	85.6	Confident	35 Å²	35	85.2 Å²	85.2	19%	0.187	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	111.4	171.8	172.4	16.5	0	0	0	109.8	L281 V285 T286 T287 Q288 I290	L281-D283 PolarHBondContact O-N 2.7Å; D283-V285 PolarHBondContact O-N 3.44Å; D283-V285 WeakPolarHBondContact OD1-CB 3.01Å; D283-V285 PolarHBondContact OD1-N 2.98Å; D283-T286 WeakPolarHBondContact CB-OG1 3.05Å; D283-T286 VanDerWaalsContact CG-OG1 3.24Å; D283-T286 WeakPolarHBondContact OD2-CB 3.13Å; D283-T286 VanDerWaalsContact OD2-CG2 3.22Å; D283-T286 WeakPolarHBondContact OD2-CG2 3.32Å; D283-T286 PolarHBondContact OD2-N 3.3Å; D283-T286 PolarHBondContact OD2-OG1 2.91Å; D283-T287 WeakPolarHBondContact O-CA 3.41Å; D283-T287 PolarHBondContact O-N 3.39Å; D283-Q288 PolarHBondContact N-O 3.03Å; D283-I290 HydrophobicContact CB-CD1 4.03Å; D283-I290 HydrophobicContact CB-CG1 4.11Å; D283-I290 HydrophobicContact CB-CG2 4.12Å
284	P	78.4	Confident	85.4	Confident	100 Å²	100	89.6 Å²	89.6	65%	0.649	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-12.8	180	30.6	-36.3	0	0	0	113.7	Y282	Y282-P284 HydrophobicContact CE1-CB 4.26Å; Y282-P284 WeakPolarHBondContact O-CD 3.38Å
285	V	78.5	Confident	85.3	Confident	129 Å²	129	85.9 Å²	85.9	78%	0.782	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-46.6	178.1	-175.7	0	0	0	0	111.2	D283	D283-V285 PolarHBondContact O-N 3.44Å; D283-V285 WeakPolarHBondContact OD1-CB 3.01Å; D283-V285 PolarHBondContact OD1-N 2.98Å
286	T	82.6	Confident	85.4	Confident	66 Å²	66	80.9 Å²	80.9	41%	0.405	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-12.3	176.7	57	0	0	0	0	113.6	D283 Q288	D283-T286 WeakPolarHBondContact CB-OG1 3.05Å; D283-T286 VanDerWaalsContact CG-OG1 3.24Å; D283-T286 WeakPolarHBondContact OD2-CB 3.13Å; D283-T286 VanDerWaalsContact OD2-CG2 3.22Å; D283-T286 WeakPolarHBondContact OD2-CG2 3.32Å; D283-T286 PolarHBondContact OD2-N 3.3Å; D283-T286 PolarHBondContact OD2-OG1 2.91Å; T286-Q288 PolarHBondContact O-N 2.86Å
287	T	76.9	Confident	85.3	Confident	96 Å²	96	82.5 Å²	82.5	59%	0.589	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	31.2	-173.1	61.2	0	0	0	0	113.5	D283	D283-T287 WeakPolarHBondContact O-CA 3.41Å; D283-T287 PolarHBondContact O-N 3.39Å
288	Q	77.4	Confident	85.2	Confident	128 Å²	128	82.1 Å²	82.1	60%	0.598	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.8	155.7	-177.8	-69.5	-179.1	2.6	0	0	111.1	D283 T286	D283-Q288 PolarHBondContact N-O 3.03Å; T286-Q288 PolarHBondContact O-N 2.86Å
289	Y	79.1	Confident	84.9	Confident	148 Å²	148	80.4 Å²	80.4	58%	0.58	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	121.4	167	-72.3	-87.3	0	0	0	109.1	E280 L281 Y282	E280-Y289 HydrophobicContact CB-CD1 4.37Å; L281-Y289 WeakPolarHBondContact O-CA 3.25Å; Y282-Y289 HydrophobicContact CD2-CD2 4.33Å; Y282-Y289 HydrophobicContact CD2-CE1 4.32Å; Y282-Y289 HydrophobicContact CD2-CE2 4.04Å
290	I	86.7	Confident	84.5	Confident	78 Å²	78	83.9 Å²	83.9	40%	0.4	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	145.6	176	60.5	166.3	0	0	0	109.7	E280 L281 D283 N292	E280-I290 CarbonylContact C-O 3.56Å; E280-I290 VanDerWaalsContact CA-O 3.31Å; E280-I290 WeakPolarHBondContact CA-O 3.27Å; L281-I290 HydrophobicContact CB-CG1 4.33Å; L281-I290 PolarHBondContact N-O 3.2Å; L281-I290 WeakPolarHBondContact O-CG1 3.4Å; L281-I290 PolarHBondContact O-N 3.3Å; D283-I290 HydrophobicContact CB-CD1 4.03Å; D283-I290 HydrophobicContact CB-CG1 4.11Å; D283-I290 HydrophobicContact CB-CG2 4.12Å; I290-N292 PolarHBondContact O-N 2.83Å
291	K	85.6	Confident	84.4	Confident	173 Å²	173	80.5 Å²	80.5	75%	0.752	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62	126.9	178.6	-176.5	172.8	-177.9	172.3	0	111	P293	K291-P293 WeakPolarHBondContact O-CD 3.5Å
292	N	88.7	Confident	84.7	Confident	18 Å²	18	79.7 Å²	79.7	10%	0.096	42%	0.416	C	S	.	.			trans	-75.3	120.5	175.1	-171.5	-6.8	0	0	0	110.1	T278 P279 L281 I290 N294 G295	T278-N292 WeakPolarHBondContact O-CB 3.36Å; T278-N292 PolarHBondContact O-ND2 3.38Å; P279-N292 WeakPolarHBondContact O-CB 3.43Å; P279-N292 PolarHBondContact O-N 2.74Å; L281-N292 HydrophobicContact CD1-CB 4.15Å; L281-N292 HydrophobicContact CG-CB 3.93Å; I290-N292 PolarHBondContact O-N 2.83Å; N292-N294 PolarHBondContact O-N 2.99Å; N292-N294 PolarHBondContact OD1-N 2.84Å; N292-G295 PolarHBondContact O-N 3.23Å; N292-G295 VanDerWaalsContact O-N 3.09Å
293	P	88.8	Confident	85.3	Confident	123 Å²	123	74.6 Å²	74.6	80%	0.799	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-27.5	174.8	-22.9	35	0	0	0	113.4	K291	K291-P293 WeakPolarHBondContact O-CD 3.5Å
294	N	89.6	Confident	85.8	Confident	123 Å²	123	74.5 Å²	74.5	66%	0.658	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	9.2	178.3	-60.7	-23.4	0	0	0	112.4	P277 N292	P277-N294 WeakPolarHBondContact CB-O 3.18Å; N292-N294 PolarHBondContact O-N 2.99Å; N292-N294 PolarHBondContact OD1-N 2.84Å
295	G	90.2	Very high	86.4	Confident	17 Å²	17	74.3 Å²	74.3	18%	0.175	40%	0.395	C	S	.	.			trans	-64.4	135.8	-176.2	0	0	0	0	0	112.7	P277 T278 N292	P277-G295 WeakPolarHBondContact O-CA 3.32Å; T278-G295 WeakPolarHBondContact O-CA 3.28Å; N292-G295 PolarHBondContact O-N 3.23Å; N292-G295 VanDerWaalsContact O-N 3.09Å
296	K	94	Very high	86.9	Confident	20 Å²	20	73.1 Å²	73.1	9%	0.087	39%	0.388	C	S	.	.			trans	-132	158.8	177.3	-65.9	-174.6	-178.6	-178.4	0	109.9	D268 D269 P277 C303 V304 T305	D268-K296 VanDerWaalsContact OD1-CD 3.28Å; D268-K296 WeakPolarHBondContact OD1-CD 3.26Å; D268-K296 WeakPolarHBondContact OD1-CE 3.34Å; D268-K296 IonicContact OD1-NZ 3.62Å; D268-K296 PolarHBondContact OD1-NZ 3.02Å; D269-K296 IonicContact OD1-NZ 2.68Å; D269-K296 PolarHBondContact OD1-NZ 3.5Å; D269-K296 IonicContact OD2-NZ 3.28Å; D269-K296 PolarHBondContact OD2-NZ 2.9Å; P277-K296 PolarHBondContact O-N 2.8Å; P277-K296 VanDerWaalsContact O-O 3.07Å; K296-C303 HydrophobicContact CB-CB 4.04Å; K296-C303 HydrophobicContact CD-CB 3.81Å; K296-V304 CarbonylContact C-O 3.6Å; K296-V304 WeakPolarHBondContact CA-O 3.22Å; K296-T305 HydrophobicContact CD-CG2 4.41Å; K296-T305 HydrophobicContact CG-CG2 4.06Å
297	Y	92	Very high	87.1	Confident	46 Å²	46	70.4 Å²	70.4	18%	0.18	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	141.2	176.1	-55.4	-83.3	0	0	0	110	P279 F299 V304 I313 D316	P279-Y297 HydrophobicContact CB-CE1 3.95Å; P279-Y297 HydrophobicContact CG-CD1 3.73Å; P279-Y297 HydrophobicContact CG-CE1 3.44Å; P279-Y297 VanDerWaalsContact CG-CE1 3.44Å; Y297-F299 PolarHBondContact O-N 3.47Å; Y297-V304 PolarHBondContact N-O 2.89Å; Y297-V304 WeakPolarHBondContact O-CG2 3.27Å; Y297-V304 PolarHBondContact O-N 3.46Å; Y297-I313 HydrophobicContact CD1-CG1 4.47Å; Y297-I313 HydrophobicContact CD1-CG2 3.84Å; Y297-I313 HydrophobicContact CE1-CD1 4.32Å; Y297-I313 HydrophobicContact CE1-CG1 4.28Å; Y297-I313 HydrophobicContact CE1-CG2 3.45Å; Y297-I313 VanDerWaalsContact CE1-CG2 3.45Å; Y297-I313 HydrophobicContact CE2-CD1 4.38Å; Y297-D316 CarbonylContact C-O 3.36Å; Y297-D316 VanDerWaalsContact CA-O 3.28Å; Y297-D316 WeakPolarHBondContact CA-O 3.32Å
298	A	91.5	Very high	87.2	Confident	31 Å²	31	67.1 Å²	67.1	26%	0.256	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	121.4	170.1	0	0	0	0	0	110.3	M266 D316 G317 C318	M266-A298 HydrophobicContact CE-CB 3.64Å; A298-D316 PolarHBondContact N-O 2.95Å; A298-G317 CarbonylContact O-C 3.49Å; A298-G317 WeakPolarHBondContact O-CA 3.37Å; A298-C318 PolarHBondContact O-N 3.22Å
299	F	85.2	Confident	87.2	Confident	28 Å²	28	67.9 Å²	67.9	12%	0.123	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	115.7	171.6	179.2	-121.3	0	0	0	109.9	Y297 R301 E302 V304 P308 M311 C318	Y297-F299 PolarHBondContact O-N 3.47Å; F299-R301 PolarHBondContact O-N 2.87Å; F299-E302 PolarHBondContact N-O 3.06Å; F299-E302 PolarHBondContact O-N 3.28Å; F299-V304 HydrophobicContact CB-CG1 4.14Å; F299-V304 HydrophobicContact CB-CG2 3.67Å; F299-V304 HydrophobicContact CD1-CG1 4.39Å; F299-P308 HydrophobicContact CD1-CG 4.02Å; F299-P308 HydrophobicContact CD2-CG 4.44Å; F299-P308 HydrophobicContact CE1-CG 3.64Å; F299-P308 HydrophobicContact CE2-CG 4.1Å; F299-P308 HydrophobicContact CG-CG 4.41Å; F299-P308 HydrophobicContact CZ-CG 3.68Å; F299-M311 HydrophobicContact CE2-CE 3.83Å; F299-M311 HydrophobicContact CE2-CG 4.08Å; F299-M311 HydrophobicContact CE2-SD 4.23Å; F299-M311 HydrophobicContact CZ-CE 4.4Å; F299-C318 HydrophobicContact CB-CB 4.11Å; F299-C318 HydrophobicContact CD2-CB 3.81Å; F299-C318 HydrophobicContact CG-CB 4.32Å
300	N	79.2	Confident	86.9	Confident	95 Å²	95	67.3 Å²	67.3	51%	0.508	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	-107.7	-166.9	-57	-52.7	0	0	0	111.2
301	R	84.7	Confident	86.6	Confident	39 Å²	39	65.3 Å²	65.3	15%	0.147	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	17.5	178.5	-53.8	-175.9	70.1	92.1	12.4	112.3	W116 D118 C263 R264 A265 M266 R267 F299	W116-R301 VanDerWaalsContact CD2-CZ 3.49Å; W116-R301 VanDerWaalsContact CE3-CZ 3.41Å; W116-R301 VanDerWaalsContact CH2-NH2 3.27Å; D118-R301 IonicContact OD1-NH1 3.73Å; D118-R301 PolarHBondContact OD1-NH1 3.39Å; D118-R301 IonicContact OD2-NH1 2.99Å; C263-R301 PolarHBondContact O-NH2 2.87Å; R264-R301 VanDerWaalsContact C-NH2 3.34Å; R264-R301 PolarHBondContact O-NH2 3.46Å; A265-R301 PolarHBondContact O-NH2 2.92Å; M266-R301 CarbonylContact C-O 3.36Å; R267-R301 PolarHBondContact N-O 3.24Å; F299-R301 PolarHBondContact O-N 2.87Å
302	E	89.3	Confident	86.5	Confident	63 Å²	63	58.3 Å²	58.3	29%	0.294	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	152.9	-176	-59.8	-170.8	147.6	0	0	112.1	M266 R267 F299	M266-E302 VanDerWaalsContact CE-O 3.22Å; M266-E302 WeakPolarHBondContact CE-O 3.38Å; R267-E302 CarbonylContact O-C 3.53Å; R267-E302 WeakPolarHBondContact O-CA 3.48Å; F299-E302 PolarHBondContact N-O 3.06Å; F299-E302 PolarHBondContact O-N 3.28Å
303	C	93.9	Very high	86.6	Confident	11 Å²	11	58.4 Å²	58.4	7%	0.074	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	111	175.4	-58.2	0	0	0	0	110.4	R267 D268 C276 K296	R267-C303 PolarHBondContact O-N 3.37Å; D268-C303 HydrophobicContact CB-CB 4.07Å; C276-C303 WeakPolarHBondContact CA-SG 3.44Å; C276-C303 HydrophobicContact CB-CB 3.79Å; C276-C303 WeakPolarHBondContact CB-SG 3.49Å; C276-C303 WeakPolarHBondContact SG-CA 3.35Å; C276-C303 WeakPolarHBondContact SG-CB 3.42Å; C276-C303 CovalentContact SG-SG 2.04Å; C276-C303 PolarHBondContact SG-SG 3.33Å; K296-C303 HydrophobicContact CB-CB 4.04Å; K296-C303 HydrophobicContact CD-CB 3.81Å
304	V	90.4	Very high	86.6	Confident	32 Å²	32	54.8 Å²	54.8	19%	0.194	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	142	-177.5	-60.7	0	0	0	0	111.7	K296 Y297 F299 V306	K296-V304 CarbonylContact C-O 3.6Å; K296-V304 WeakPolarHBondContact CA-O 3.22Å; Y297-V304 PolarHBondContact N-O 2.89Å; Y297-V304 WeakPolarHBondContact O-CG2 3.27Å; Y297-V304 PolarHBondContact O-N 3.46Å; F299-V304 HydrophobicContact CB-CG1 4.14Å; F299-V304 HydrophobicContact CB-CG2 3.67Å; F299-V304 HydrophobicContact CD1-CG1 4.39Å; V304-V306 VanDerWaalsContact C-N 3.32Å
305	T	90.4	Very high	86.5	Confident	97 Å²	97	55.6 Å²	55.6	60%	0.595	30%	0.299	S	S	*	.	S	Bend	trans	-74.1	-23.8	176.7	50.8	0	0	0	0	113	K296	K296-T305 HydrophobicContact CD-CG2 4.41Å; K296-T305 HydrophobicContact CG-CG2 4.06Å
306	V	89.1	Confident	86.4	Confident	104 Å²	104	58.4 Å²	58.4	63%	0.63	31%	0.311	S	S	*	.	S	Bend	trans	-142.1	130.2	-179.8	-174.3	0	0	0	0	108.8	V304	V304-V306 VanDerWaalsContact C-N 3.32Å
307	C	86.1	Confident	86.2	Confident	9 Å²	9	58 Å²	58	6%	0.061	31%	0.312	C	S	.	.			trans	-65.2	145.8	174.4	-64.7	0	0	0	0	111.8	M311 I313 C318	C307-M311 HydrophobicContact CB-CB 4.33Å; C307-I313 HydrophobicContact CB-CG1 4.28Å; C307-I313 VanDerWaalsContact SG-CG1 3.51Å; C307-C318 WeakPolarHBondContact CA-SG 3.48Å; C307-C318 HydrophobicContact CB-CB 3.77Å; C307-C318 WeakPolarHBondContact CB-SG 3.47Å; C307-C318 VanDerWaalsContact SG-CA 3.53Å; C307-C318 WeakPolarHBondContact SG-CB 3.41Å; C307-C318 CovalentContact SG-SG 2.03Å; C307-C318 PolarHBondContact SG-SG 2.87Å
308	P	78.9	Confident	86.1	Confident	27 Å²	27	56.6 Å²	56.6	18%	0.175	31%	0.309	C	S	.	.			trans	-55.9	149.6	175.9	-27.1	35.3	0	0	0	113	F299 H310 M311	F299-P308 HydrophobicContact CD1-CG 4.02Å; F299-P308 HydrophobicContact CD2-CG 4.44Å; F299-P308 HydrophobicContact CE1-CG 3.64Å; F299-P308 HydrophobicContact CE2-CG 4.1Å; F299-P308 HydrophobicContact CG-CG 4.41Å; F299-P308 HydrophobicContact CZ-CG 3.68Å; P308-H310 PolarHBondContact O-N 2.66Å; P308-M311 HydrophobicContact CB-CG 4.27Å; P308-M311 HydrophobicContact CG-CG 4.42Å; P308-M311 PolarHBondContact O-N 2.83Å
309	P	77.6	Confident	85.7	Confident	143 Å²	143	57.3 Å²	57.3	93%	0.929	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-2.9	-171.3	-25.6	34.9	0	0	0	117.6
310	H	72.3	Confident	85.2	Confident	137 Å²	137	60 Å²	60	63%	0.634	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	5.9	177.7	64.5	-89.2	0	0	0	112.6	P308	P308-H310 PolarHBondContact O-N 2.66Å
311	M	80.5	Confident	85.2	Confident	35 Å²	35	65.1 Å²	65.1	17%	0.172	34%	0.344	C	S	.	.			trans	-113.9	153.2	177.3	-63.4	-76.3	172.8	0	0	109.1	F299 C307 P308 C318 V319 S320	F299-M311 HydrophobicContact CE2-CE 3.83Å; F299-M311 HydrophobicContact CE2-CG 4.08Å; F299-M311 HydrophobicContact CE2-SD 4.23Å; F299-M311 HydrophobicContact CZ-CE 4.4Å; C307-M311 HydrophobicContact CB-CB 4.33Å; P308-M311 HydrophobicContact CB-CG 4.27Å; P308-M311 HydrophobicContact CG-CG 4.42Å; P308-M311 PolarHBondContact O-N 2.83Å; M311-C318 HydrophobicContact CB-CB 4.29Å; M311-V319 WeakPolarHBondContact CA-O 3.41Å; M311-V319 VanDerWaalsContact SD-C 3.59Å; M311-S320 VanDerWaalsContact SD-CA 3.56Å; M311-S320 PolarHBondContact SD-N 3.49Å
312	V	85.3	Confident	85.2	Confident	26 Å²	26	64.6 Å²	64.6	16%	0.158	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	148.8	173.6	-65.4	0	0	0	0	109.9	V319 A328 N333 C335	V312-V319 HydrophobicContact CG2-CG2 3.84Å; V312-V319 WeakPolarHBondContact CG2-O 3.17Å; V312-V319 PolarHBondContact N-O 2.85Å; V312-V319 WeakPolarHBondContact O-CG2 3.11Å; V312-V319 PolarHBondContact O-N 2.91Å; V312-A328 HydrophobicContact CG1-CB 4.2Å; V312-N333 CarbonylContact C-O 3.42Å; V312-N333 WeakPolarHBondContact CA-O 3.44Å; V312-C335 WeakPolarHBondContact CG2-SG 3.3Å
313	I	90.4	Very high	84.9	Confident	20 Å²	20	63 Å²	63	10%	0.103	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	125.1	178.2	-64	161.4	0	0	0	108.3	Y297 C307 N333 V334 C335	Y297-I313 HydrophobicContact CD1-CG1 4.47Å; Y297-I313 HydrophobicContact CD1-CG2 3.84Å; Y297-I313 HydrophobicContact CE1-CD1 4.32Å; Y297-I313 HydrophobicContact CE1-CG1 4.28Å; Y297-I313 HydrophobicContact CE1-CG2 3.45Å; Y297-I313 VanDerWaalsContact CE1-CG2 3.45Å; Y297-I313 HydrophobicContact CE2-CD1 4.38Å; C307-I313 HydrophobicContact CB-CG1 4.28Å; C307-I313 VanDerWaalsContact SG-CG1 3.51Å; I313-N333 PolarHBondContact N-O 2.02Å; I313-V334 HydrophobicContact CB-CG2 4.38Å; I313-V334 HydrophobicContact CD1-CG2 4.27Å; I313-C335 WeakPolarHBondContact O-CB 3.5Å; I313-C335 PolarHBondContact O-N 2.99Å
314	Y	88.1	Confident	84.2	Confident	48 Å²	48	71.2 Å²	71.2	19%	0.188	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	116.6	167.3	176.6	-102.6	0	0	0	108.7	D316 G317 P323 Y326 C335	Y314-D316 PolarHBondContact O-N 3.32Å; Y314-G317 PolarHBondContact N-O 3.3Å; Y314-G317 PolarHBondContact O-N 2.93Å; Y314-P323 HydrophobicContact CD1-CG 4.08Å; Y314-P323 HydrophobicContact CD2-CG 3.68Å; Y314-P323 HydrophobicContact CE1-CG 3.86Å; Y314-P323 HydrophobicContact CE2-CG 3.43Å; Y314-P323 VanDerWaalsContact CE2-CG 3.43Å; Y314-P323 HydrophobicContact CG-CG 3.99Å; Y314-Y326 HydrophobicContact CD2-CD1 4.26Å; Y314-Y326 HydrophobicContact CD2-CG 4.33Å; Y314-Y326 AromaticContact CE2-CD1 3.81Å; Y314-Y326 HydrophobicContact CE2-CD1 3.81Å; Y314-Y326 AromaticContact CE2-CD2 3.77Å; Y314-Y326 HydrophobicContact CE2-CD2 3.77Å; Y314-Y326 AromaticContact CE2-CE1 3.81Å; Y314-Y326 HydrophobicContact CE2-CE1 3.81Å; Y314-Y326 AromaticContact CE2-CE2 3.75Å; Y314-Y326 HydrophobicContact CE2-CE2 3.75Å; Y314-Y326 AromaticContact CE2-CG 3.81Å; Y314-Y326 HydrophobicContact CE2-CG 3.81Å; Y314-Y326 AromaticContact CE2-CZ 3.78Å; Y314-C335 HydrophobicContact CD2-CB 3.9Å
315	K	87.1	Confident	83.8	Confident	139 Å²	139	71.7 Å²	71.7	60%	0.604	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	-116.7	-172.9	-62.4	173.8	173.9	163.1	0	110.9
316	D	88	Confident	83.7	Confident	77 Å²	77	70.7 Å²	70.7	41%	0.412	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	11.2	-178.6	58.5	-30.7	0	0	0	113.7	P279 Y297 A298 Y314	P279-D316 HydrophobicContact CG-CB 4.42Å; Y297-D316 CarbonylContact C-O 3.36Å; Y297-D316 VanDerWaalsContact CA-O 3.28Å; Y297-D316 WeakPolarHBondContact CA-O 3.32Å; A298-D316 PolarHBondContact N-O 2.95Å; Y314-D316 PolarHBondContact O-N 3.32Å
317	G	90	Very high	83.4	Confident	12 Å²	12	67.7 Å²	67.7	12%	0.124	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	161.7	-176.6	0	0	0	0	0	115.7	A298 Y314	A298-G317 CarbonylContact O-C 3.49Å; A298-G317 WeakPolarHBondContact O-CA 3.37Å; Y314-G317 PolarHBondContact N-O 3.3Å; Y314-G317 PolarHBondContact O-N 2.93Å
318	C	89.3	Confident	83.2	Confident	15 Å²	15	69 Å²	69	10%	0.101	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	116.2	174	-55.4	0	0	0	0	110.1	A298 F299 C307 M311	A298-C318 PolarHBondContact O-N 3.22Å; F299-C318 HydrophobicContact CB-CB 4.11Å; F299-C318 HydrophobicContact CD2-CB 3.81Å; F299-C318 HydrophobicContact CG-CB 4.32Å; C307-C318 WeakPolarHBondContact CA-SG 3.48Å; C307-C318 HydrophobicContact CB-CB 3.77Å; C307-C318 WeakPolarHBondContact CB-SG 3.47Å; C307-C318 VanDerWaalsContact SG-CA 3.53Å; C307-C318 WeakPolarHBondContact SG-CB 3.41Å; C307-C318 CovalentContact SG-SG 2.03Å; C307-C318 PolarHBondContact SG-SG 2.87Å; M311-C318 HydrophobicContact CB-CB 4.29Å
319	V	83.3	Confident	83	Confident	46 Å²	46	73.6 Å²	73.6	28%	0.279	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	151.3	-178.3	-60.9	0	0	0	0	111.5	M311 V312 R321	M311-V319 WeakPolarHBondContact CA-O 3.41Å; M311-V319 VanDerWaalsContact SD-C 3.59Å; V312-V319 HydrophobicContact CG2-CG2 3.84Å; V312-V319 WeakPolarHBondContact CG2-O 3.17Å; V312-V319 PolarHBondContact N-O 2.85Å; V312-V319 WeakPolarHBondContact O-CG2 3.11Å; V312-V319 PolarHBondContact O-N 2.91Å; V319-R321 VanDerWaalsContact C-N 3.33Å; V319-R321 WeakPolarHBondContact CG2-O 3.32Å
320	S	75.9	Confident	82.6	Confident	84 Å²	84	74.5 Å²	74.5	59%	0.587	39%	0.387	S	S	*	.	S	Bend	trans	-77.3	-20.1	-179.3	62.3	0	0	0	0	113.8	M311	M311-S320 VanDerWaalsContact SD-CA 3.56Å; M311-S320 PolarHBondContact SD-N 3.49Å
321	R	78.9	Confident	82.5	Confident	204 Å²	204	72 Å²	72	77%	0.77	40%	0.398	S	S	*	.	S	Bend	trans	-149.8	149.3	176.8	-52.6	-179.5	-152.8	-151.6	3.4	107.9	V319	V319-R321 VanDerWaalsContact C-N 3.33Å; V319-R321 WeakPolarHBondContact CG2-O 3.32Å
322	C	84.5	Confident	82.5	Confident	27 Å²	27	72.3 Å²	72.3	18%	0.182	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-64.3	143.7	171.5	-58.8	0	0	0	0	110.9	Y326 F327 C335	C322-Y326 WeakPolarHBondContact CB-O 2.95Å; C322-F327 VanDerWaalsContact SG-C 3.58Å; C322-C335 WeakPolarHBondContact CA-SG 3.42Å; C322-C335 HydrophobicContact CB-CB 3.82Å; C322-C335 WeakPolarHBondContact CB-SG 3.01Å; C322-C335 VanDerWaalsContact SG-CA 3.51Å; C322-C335 WeakPolarHBondContact SG-CB 3.19Å; C322-C335 CovalentContact SG-SG 2.04Å; C322-C335 PolarHBondContact SG-SG 3.37Å
323	P	83.4	Confident	82.4	Confident	31 Å²	31	74.9 Å²	74.9	20%	0.201	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-68.6	170	172.8	29.6	-33.9	0	0	0	111.5	Y314 Y326	Y314-P323 HydrophobicContact CD1-CG 4.08Å; Y314-P323 HydrophobicContact CD2-CG 3.68Å; Y314-P323 HydrophobicContact CE1-CG 3.86Å; Y314-P323 HydrophobicContact CE2-CG 3.43Å; Y314-P323 VanDerWaalsContact CE2-CG 3.43Å; Y314-P323 HydrophobicContact CG-CG 3.99Å; P323-Y326 HydrophobicContact CG-CD2 4.07Å; P323-Y326 HydrophobicContact CG-CG 4.46Å; P323-Y326 PolarHBondContact O-N 3.08Å; P323-Y326 VanDerWaalsContact O-N 3.08Å
324	E	79.5	Confident	82.4	Confident	182 Å²	182	76.6 Å²	76.6	85%	0.85	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	142	179.2	-61.1	-167.3	173.4	0	0	112	Y326	E324-Y326 PolarHBondContact O-N 2.85Å
325	G	82.2	Confident	82.5	Confident	42 Å²	42	74.8 Å²	74.8	43%	0.433	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	-1	-173.1	0	0	0	0	0	115.2	C338	G325-C338 WeakPolarHBondContact O-CB 3.39Å; G325-C338 PolarHBondContact O-N 3.4Å; G325-C338 PolarHBondContact O-SG 3.33Å
326	Y	86.6	Confident	82.5	Confident	77 Å²	77	72.6 Å²	72.6	30%	0.302	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	152.5	175.5	-67.1	-101.4	0	0	0	112.4	Y314 C322 P323 E324 E336 P337 C338	Y314-Y326 HydrophobicContact CD2-CD1 4.26Å; Y314-Y326 HydrophobicContact CD2-CG 4.33Å; Y314-Y326 AromaticContact CE2-CD1 3.81Å; Y314-Y326 HydrophobicContact CE2-CD1 3.81Å; Y314-Y326 AromaticContact CE2-CD2 3.77Å; Y314-Y326 HydrophobicContact CE2-CD2 3.77Å; Y314-Y326 AromaticContact CE2-CE1 3.81Å; Y314-Y326 HydrophobicContact CE2-CE1 3.81Å; Y314-Y326 AromaticContact CE2-CE2 3.75Å; Y314-Y326 HydrophobicContact CE2-CE2 3.75Å; Y314-Y326 AromaticContact CE2-CG 3.81Å; Y314-Y326 HydrophobicContact CE2-CG 3.81Å; Y314-Y326 AromaticContact CE2-CZ 3.78Å; C322-Y326 WeakPolarHBondContact CB-O 2.95Å; P323-Y326 HydrophobicContact CG-CD2 4.07Å; P323-Y326 HydrophobicContact CG-CG 4.46Å; P323-Y326 PolarHBondContact O-N 3.08Å; P323-Y326 VanDerWaalsContact O-N 3.08Å; E324-Y326 PolarHBondContact O-N 2.85Å; Y326-E336 CarbonylContact C-O 3.48Å; Y326-E336 VanDerWaalsContact CA-O 3.23Å; Y326-E336 WeakPolarHBondContact CA-O 3.42Å; Y326-E336 VanDerWaalsContact CD1-C 3.49Å; Y326-P337 HydrophobicContact CD1-CB 4.22Å; Y326-P337 HydrophobicContact CE1-CB 3.93Å; Y326-P337 HydrophobicContact CE1-CG 4.47Å; Y326-C338 VanDerWaalsContact C-SG 3.5Å
327	F	84	Confident	82.5	Confident	40 Å²	40	73 Å²	73	18%	0.175	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	159.8	175	80.3	-64.9	0	0	0	111.2	C322 E329 C335 E336 C338 P343	C322-F327 VanDerWaalsContact SG-C 3.58Å; F327-E329 HydrophobicContact CD2-CG 4.45Å; F327-E329 HydrophobicContact CE2-CG 3.57Å; F327-E329 HydrophobicContact CZ-CG 4.1Å; F327-C335 CarbonylContact O-C 3.28Å; F327-C335 WeakPolarHBondContact O-CA 3.46Å; F327-E336 WeakPolarHBondContact CD1-O 3.45Å; F327-E336 HydrophobicContact CE1-CB 4.45Å; F327-E336 PolarHBondContact N-O 3.41Å; F327-E336 PolarHBondContact O-N 2.81Å; F327-C338 HydrophobicContact CD1-CB 4.47Å; F327-P343 HydrophobicContact CD1-CG 4.5Å; F327-P343 HydrophobicContact CD2-CB 4.13Å; F327-P343 HydrophobicContact CD2-CG 3.78Å; F327-P343 HydrophobicContact CE1-CG 4.45Å; F327-P343 HydrophobicContact CE2-CB 4.3Å; F327-P343 HydrophobicContact CE2-CG 3.69Å; F327-P343 HydrophobicContact CG-CG 4.2Å; F327-P343 HydrophobicContact CZ-CG 4.06Å
328	A	81.8	Confident	82.1	Confident	36 Å²	36	73.5 Å²	73.5	30%	0.298	42%	0.423	S	S	.	.			trans	-115.6	127.9	169.4	0	0	0	0	0	108.5	V312 V334	V312-A328 HydrophobicContact CG1-CB 4.2Å; A328-V334 WeakPolarHBondContact CB-O 3.18Å
329	E	74.6	Confident	81.5	Confident	125 Å²	125	81.3 Å²	81.3	58%	0.584	46%	0.458	S	S	*	.			trans	-63.9	156.1	173.1	-76.7	-159.5	159.9	0	0	112	F327 G331 S332	F327-E329 HydrophobicContact CD2-CG 4.45Å; F327-E329 HydrophobicContact CE2-CG 3.57Å; F327-E329 HydrophobicContact CZ-CG 4.1Å; E329-G331 PolarHBondContact O-N 3.2Å; E329-S332 PolarHBondContact O-N 3.13Å
330	V	69.4	Low	80.9	Confident	161 Å²	161	81.8 Å²	81.8	98%	0.976	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	101.6	179.5	-179.2	0	0	0	0	109.9
331	G	69.4	Low	80.8	Confident	84 Å²	84	81.1 Å²	81.1	87%	0.866	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	111.5	-13	-175.9	0	0	0	0	0	114.1	E329	E329-G331 PolarHBondContact O-N 3.2Å
332	S	80.8	Confident	80.8	Confident	42 Å²	42	73.1 Å²	73.1	29%	0.294	44%	0.44	S	S	.	.			trans	-80.5	142.5	165.7	-176.1	0	0	0	0	110.3	E329 V334	E329-S332 PolarHBondContact O-N 3.13Å; S332-V334 PolarHBondContact OG-N 3.43Å; S332-V334 VanDerWaalsContact OG-N 3.09Å; S332-V334 PolarHBondContact OG-O 3.36Å
333	N	84.6	Confident	80.7	Confident	80 Å²	80	75.2 Å²	75.2	43%	0.428	45%	0.453	S	S	.	.			trans	-106.1	18.8	168.4	71.7	-37.9	0	0	0	112	V312 I313	V312-N333 CarbonylContact C-O 3.42Å; V312-N333 WeakPolarHBondContact CA-O 3.44Å; I313-N333 PolarHBondContact N-O 2.02Å
334	V	89.5	Confident	80.7	Confident	56 Å²	56	78.1 Å²	78.1	34%	0.339	46%	0.462	S	S	.	.	B	Isolated β-bridge	trans	-122.9	137.7	-178.9	-176.4	0	0	0	0	109.8	I313 A328 S332	I313-V334 HydrophobicContact CB-CG2 4.38Å; I313-V334 HydrophobicContact CD1-CG2 4.27Å; A328-V334 WeakPolarHBondContact CB-O 3.18Å; S332-V334 PolarHBondContact OG-N 3.43Å; S332-V334 VanDerWaalsContact OG-N 3.09Å; S332-V334 PolarHBondContact OG-O 3.36Å
335	C	89.1	Confident	81	Confident	11 Å²	11	73.5 Å²	73.5	7%	0.074	45%	0.446	C	S	.	.			trans	-84.9	114.3	174.3	-68	0	0	0	0	111.4	V312 I313 Y314 C322 F327	V312-C335 WeakPolarHBondContact CG2-SG 3.3Å; I313-C335 WeakPolarHBondContact O-CB 3.5Å; I313-C335 PolarHBondContact O-N 2.99Å; Y314-C335 HydrophobicContact CD2-CB 3.9Å; C322-C335 WeakPolarHBondContact CA-SG 3.42Å; C322-C335 HydrophobicContact CB-CB 3.82Å; C322-C335 WeakPolarHBondContact CB-SG 3.01Å; C322-C335 VanDerWaalsContact SG-CA 3.51Å; C322-C335 WeakPolarHBondContact SG-CB 3.19Å; C322-C335 CovalentContact SG-SG 2.04Å; C322-C335 PolarHBondContact SG-SG 3.37Å; F327-C335 CarbonylContact O-C 3.28Å; F327-C335 WeakPolarHBondContact O-CA 3.46Å
336	E	87.8	Confident	81.4	Confident	92 Å²	92	72 Å²	72	43%	0.43	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	147.6	179.2	-63.4	-176.7	166.3	0	0	111	Y326 F327	Y326-E336 CarbonylContact C-O 3.48Å; Y326-E336 VanDerWaalsContact CA-O 3.23Å; Y326-E336 WeakPolarHBondContact CA-O 3.42Å; Y326-E336 VanDerWaalsContact CD1-C 3.49Å; F327-E336 WeakPolarHBondContact CD1-O 3.45Å; F327-E336 HydrophobicContact CE1-CB 4.45Å; F327-E336 PolarHBondContact N-O 3.41Å; F327-E336 PolarHBondContact O-N 2.81Å
337	P	87.6	Confident	81.6	Confident	87 Å²	87	74.5 Å²	74.5	57%	0.565	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.5	136.6	179.2	27.6	-34	0	0	0	111.5	Y326	Y326-P337 HydrophobicContact CD1-CB 4.22Å; Y326-P337 HydrophobicContact CE1-CB 3.93Å; Y326-P337 HydrophobicContact CE1-CG 4.47Å
338	C	82.6	Confident	81.9	Confident	21 Å²	21	73 Å²	73	14%	0.142	44%	0.44	C	S	.	.			trans	-71.5	133.5	-177	-61.2	0	0	0	0	112.5	G325 Y326 F327 G340 C342	G325-C338 WeakPolarHBondContact O-CB 3.39Å; G325-C338 PolarHBondContact O-N 3.4Å; G325-C338 PolarHBondContact O-SG 3.33Å; Y326-C338 VanDerWaalsContact C-SG 3.5Å; F327-C338 HydrophobicContact CD1-CB 4.47Å; C338-G340 VanDerWaalsContact C-N 3.3Å; C338-G340 PolarHBondContact O-N 3.43Å; C338-C342 HydrophobicContact CB-CB 3.94Å; C338-C342 WeakPolarHBondContact CB-SG 3.45Å; C338-C342 WeakPolarHBondContact SG-CA 3.38Å; C338-C342 WeakPolarHBondContact SG-CB 3.4Å; C338-C342 CovalentContact SG-SG 2.04Å; C338-C342 PolarHBondContact SG-SG 2.88Å
339	Q	76.1	Confident	82.1	Confident	179 Å²	179	78.2 Å²	78.2	84%	0.836	46%	0.459	S	S	*	.	S	Bend	trans	-80.1	77.4	172.5	-65.7	-172.7	1.3	0	0	111.2	R407	Q339-R407 PolarHBondContact O-NH1 2.75Å; Q339-R407 PolarHBondContact O-NH2 2.88Å
340	G	71.2	Confident	82.8	Confident	57 Å²	57	74.6 Å²	74.6	59%	0.588	44%	0.442	S	S	*	.	S	Bend	trans	86.4	-130.7	-171.1	0	0	0	0	0	111.1	C338 C342	C338-G340 VanDerWaalsContact C-N 3.3Å; C338-G340 PolarHBondContact O-N 3.43Å; G340-C342 PolarHBondContact O-N 3.08Å
341	V	73.3	Confident	83.9	Confident	69 Å²	69	68.2 Å²	68.2	42%	0.418	40%	0.401	S	S	.	.	S	Bend	trans	-66.4	127.6	177.5	-173.4	0	0	0	0	109.9	T364	V341-T364 HydrophobicContact CB-CG2 4.03Å; V341-T364 HydrophobicContact CG1-CG2 3.69Å
342	C	79.4	Confident	85.1	Confident	37 Å²	37	64.2 Å²	64.2	25%	0.25	36%	0.36	C	S	.	.			trans	-57.8	137.4	-178.7	-70.4	0	0	0	0	112.8	C338 G340 K344 T364	C338-C342 HydrophobicContact CB-CB 3.94Å; C338-C342 WeakPolarHBondContact CB-SG 3.45Å; C338-C342 WeakPolarHBondContact SG-CA 3.38Å; C338-C342 WeakPolarHBondContact SG-CB 3.4Å; C338-C342 CovalentContact SG-SG 2.04Å; C338-C342 PolarHBondContact SG-SG 2.88Å; G340-C342 PolarHBondContact O-N 3.08Å; C342-K344 PolarHBondContact O-N 3.38Å; C342-T364 WeakPolarHBondContact O-CG2 3.47Å
343	P	81.7	Confident	85.6	Confident	71 Å²	71	62.2 Å²	62.2	46%	0.461	35%	0.346	S	S	.	.			trans	-57.8	112.4	178.3	-28.9	37.9	0	0	0	113.5	F327 T364	F327-P343 HydrophobicContact CD1-CG 4.5Å; F327-P343 HydrophobicContact CD2-CB 4.13Å; F327-P343 HydrophobicContact CD2-CG 3.78Å; F327-P343 HydrophobicContact CE1-CG 4.45Å; F327-P343 HydrophobicContact CE2-CB 4.3Å; F327-P343 HydrophobicContact CE2-CG 3.69Å; F327-P343 HydrophobicContact CG-CG 4.2Å; F327-P343 HydrophobicContact CZ-CG 4.06Å; P343-T364 WeakPolarHBondContact CA-OG1 3.23Å
344	K	84.2	Confident	86	Confident	91 Å²	91	59.8 Å²	59.8	40%	0.396	34%	0.335	S	S	.	.			trans	-124.6	119.5	173.4	-177.9	-175.5	171.2	-171.9	0	108.8	C342 I361 G362 T364 K365	C342-K344 PolarHBondContact O-N 3.38Å; K344-I361 PolarHBondContact NZ-O 3.33Å; K344-G362 WeakPolarHBondContact CB-O 3.16Å; K344-T364 PolarHBondContact N-OG1 3.17Å; K344-T364 PolarHBondContact O-N 3.3Å; K344-T364 PolarHBondContact O-OG1 2.84Å; K344-K365 PolarHBondContact O-N 3.28Å
345	T	85.8	Confident	86	Confident	85 Å²	85	61.9 Å²	61.9	52%	0.521	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	129.3	172.6	-56.7	0	0	0	0	109.5	K365 D367	T345-K365 CarbonylContact C-O 3.58Å; T345-K365 VanDerWaalsContact CA-O 3.27Å; T345-K365 WeakPolarHBondContact CA-O 3.47Å; T345-K365 HydrophobicContact CG2-CD 4.32Å; T345-K365 HydrophobicContact CG2-CG 4.29Å; T345-D367 HydrophobicContact CG2-CB 4.01Å
346	C	91.2	Very high	86.1	Confident	12 Å²	12	61.8 Å²	61.8	8%	0.081	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	132.3	178.2	-33.4	0	0	0	0	109.2	C363 K365 D367	C346-C363 HydrophobicContact CB-CB 4.18Å; C346-C363 WeakPolarHBondContact CB-SG 3.5Å; C346-C363 PolarHBondContact N-SG 2.84Å; C346-C363 VanDerWaalsContact N-SG 3.44Å; C346-C363 WeakPolarHBondContact SG-CB 3.03Å; C346-C363 CovalentContact SG-SG 2.03Å; C346-C363 PolarHBondContact SG-SG 3.5Å; C346-K365 PolarHBondContact N-O 2.83Å; C346-D367 PolarHBondContact O-N 2.81Å
347	I	90.1	Very high	86.3	Confident	129 Å²	129	58 Å²	58	66%	0.662	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	121.5	-178.9	-57.7	173.5	0	0	0	107.6	E349 D367	I347-E349 HydrophobicContact CG2-CG 4.28Å; I347-D367 WeakPolarHBondContact CA-O 3.42Å
348	I	90.5	Very high	86.5	Confident	8 Å²	8	61.2 Å²	61.2	4%	0.041	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	114.7	-176.1	-58.9	-62.3	0	0	0	109.6	H350 D359 F360 V366 D367 G368	I348-H350 WeakPolarHBondContact CG2-O 3.39Å; I348-D359 HydrophobicContact CD1-CB 4.27Å; I348-F360 HydrophobicContact CB-CZ 4.41Å; I348-F360 HydrophobicContact CD1-CD1 4.44Å; I348-F360 HydrophobicContact CD1-CD2 4.24Å; I348-F360 HydrophobicContact CD1-CE1 3.99Å; I348-F360 HydrophobicContact CD1-CE2 3.77Å; I348-F360 HydrophobicContact CD1-CZ 3.64Å; I348-F360 HydrophobicContact CG1-CE1 3.84Å; I348-F360 HydrophobicContact CG1-CE2 4.41Å; I348-F360 HydrophobicContact CG1-CZ 3.77Å; I348-F360 HydrophobicContact CG2-CE1 4.46Å; I348-F360 HydrophobicContact CG2-CZ 3.78Å; I348-V366 HydrophobicContact CB-CG1 3.95Å; I348-V366 HydrophobicContact CG1-CG1 3.76Å; I348-D367 PolarHBondContact N-O 2.77Å; I348-G368 WeakPolarHBondContact O-CA 3.17Å
349	E	86.4	Confident	86.9	Confident	145 Å²	145	64.4 Å²	64.4	68%	0.678	34%	0.342	S	S	*	.			trans	-108.3	-10	-176.5	-56.1	-167	149.8	0	0	114	I347 F369	I347-E349 HydrophobicContact CG2-CG 4.28Å; E349-F369 WeakPolarHBondContact O-CZ 3.43Å
350	H	89.2	Confident	87.7	Confident	50 Å²	50	55.9 Å²	55.9	23%	0.231	30%	0.302	C	S	.	.	S	Bend	trans	-130.7	158.2	-175.4	-62.4	-41.8	0	0	0	111.2	I348 N356 L382 L384	I348-H350 WeakPolarHBondContact CG2-O 3.39Å; H350-N356 PolarHBondContact O-ND2 2.93Å; H350-L382 HydrophobicContact CB-CD1 4.23Å; H350-L382 HydrophobicContact CB-CD2 3.95Å; H350-L384 VanDerWaalsContact NE2-CD2 3.26Å; H350-L384 WeakPolarHBondContact NE2-CD2 3.41Å
351	H	92	Very high	88.6	Confident	26 Å²	26	57.9 Å²	57.9	12%	0.12	30%	0.298	C	S	.	.			trans	-64.7	161.1	176.2	66.2	-81	0	0	0	111.9	S353 N356 E371 D375 Y392	H351-S353 PolarHBondContact O-N 2.04Å; H351-N356 PolarHBondContact O-ND2 3.32Å; H351-N356 PolarHBondContact O-OD1 2.89Å; H351-E371 HydrophobicContact CB-CB 3.64Å; H351-D375 IonicContact CD2-OD2 3.2Å; H351-D375 IonicContact CE1-OD2 3.56Å; H351-D375 PolarHBondContact CE1-OD2 3.06Å; H351-D375 IonicContact NE2-OD2 2.96Å; H351-D375 PolarHBondContact NE2-OD2 3.17Å; H351-Y392 AromaticContact NE2-CZ 3.81Å; H351-Y392 PolarHBondContact NE2-OH 3Å; H351-Y392 VanDerWaalsContact NE2-OH 3.09Å
352	V	93.8	Very high	89.2	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.295	C	S	.	.	S	Bend	trans	-70.7	127.4	-174.8	-167	0	0	0	0	109.7	I357 F360 I370 E371 I372 T376 M395 L400 L403	V352-I357 HydrophobicContact CG1-CD1 3.81Å; V352-F360 HydrophobicContact CG1-CE2 4.34Å; V352-F360 HydrophobicContact CG2-CE2 4.33Å; V352-F360 HydrophobicContact CG2-CZ 3.97Å; V352-I370 HydrophobicContact CG2-CG2 4.01Å; V352-E371 WeakPolarHBondContact CG2-O 3.44Å; V352-E371 PolarHBondContact N-O 2.8Å; V352-I372 HydrophobicContact CB-CG1 4.12Å; V352-I372 HydrophobicContact CG2-CG1 3.95Å; V352-T376 WeakPolarHBondContact O-CB 3.09Å; V352-T376 WeakPolarHBondContact O-CG2 3.47Å; V352-T376 PolarHBondContact O-OG1 2.88Å; V352-M395 HydrophobicContact CG1-CE 3.62Å; V352-L400 HydrophobicContact CG1-CD2 4.07Å; V352-L403 HydrophobicContact CG1-CD1 4.34Å; V352-L403 HydrophobicContact CG2-CD2 4.41Å
353	S	92.1	Very high	89.8	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.283	C	S	.	.			trans	-152.7	167	-176.2	64	0	0	0	0	110.6	H351 F355 N356 I357	H351-S353 PolarHBondContact O-N 2.04Å; S353-F355 PolarHBondContact O-N 2.02Å; S353-F355 VanDerWaalsContact O-N 3.09Å; S353-N356 PolarHBondContact N-OD1 2.84Å; S353-N356 PolarHBondContact O-N 3.02Å; S353-N356 PolarHBondContact O-OD1 2.75Å; S353-N356 PolarHBondContact OG-OD1 3.42Å; S353-N356 VanDerWaalsContact OG-OD1 3.1Å; S353-I357 WeakPolarHBondContact O-CB 3.3Å; S353-I357 PolarHBondContact O-N 3.23Å
354	S	92.1	Very high	90.3	Very high	30 Å²	30	51.7 Å²	51.7	21%	0.21	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-17.8	177.3	53.3	0	0	0	0	113.7	Y392 D393 M395	S354-Y392 WeakPolarHBondContact OG-CB 3.38Å; S354-D393 WeakPolarHBondContact CB-O 3.39Å; S354-D393 PolarHBondContact OG-N 3.44Å; S354-D393 PolarHBondContact OG-O 2.83Å; S354-M395 PolarHBondContact N-SD 2.87Å; S354-M395 VanDerWaalsContact N-SD 3.44Å
355	F	89.2	Confident	90.7	Very high	100 Å²	100	49.9 Å²	49.9	44%	0.439	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-45.7	175.1	177.3	-107.9	0	0	0	112.9	S353 L382 L384 V390	S353-F355 PolarHBondContact O-N 2.02Å; S353-F355 VanDerWaalsContact O-N 3.09Å; F355-L382 HydrophobicContact CB-CD1 4.37Å; F355-L382 HydrophobicContact CD1-CD1 3.64Å; F355-L382 HydrophobicContact CE1-CD1 4.38Å; F355-L382 HydrophobicContact CG-CD1 4.32Å; F355-L384 HydrophobicContact CE1-CD2 4.49Å; F355-V390 HydrophobicContact CD2-CG1 3.61Å; F355-V390 HydrophobicContact CE2-CG1 3.68Å; F355-V390 HydrophobicContact CG-CG1 4.17Å; F355-V390 HydrophobicContact CZ-CG1 4.28Å
356	N	91.2	Very high	91.2	Very high	8 Å²	8	45.8 Å²	45.8	4%	0.043	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-3.4	-172.8	65	-4.2	0	0	0	114.7	H350 H351 S353 K358 D359 F360	H350-N356 PolarHBondContact O-ND2 2.93Å; H351-N356 PolarHBondContact O-ND2 3.32Å; H351-N356 PolarHBondContact O-OD1 2.89Å; S353-N356 PolarHBondContact N-OD1 2.84Å; S353-N356 PolarHBondContact O-N 3.02Å; S353-N356 PolarHBondContact O-OD1 2.75Å; S353-N356 PolarHBondContact OG-OD1 3.42Å; S353-N356 VanDerWaalsContact OG-OD1 3.1Å; N356-K358 PolarHBondContact O-N 2.86Å; N356-D359 WeakPolarHBondContact O-CB 3.42Å; N356-D359 PolarHBondContact O-N 3.45Å; N356-F360 WeakPolarHBondContact O-CD2 3.35Å
357	I	93.4	Very high	91.3	Very high	12 Å²	12	47.8 Å²	47.8	6%	0.062	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-55.8	-29	-178.6	-167.4	58.9	0	0	0	113.6	V352 S353 D359 F360 M395 Q399 A402 L403	V352-I357 HydrophobicContact CG1-CD1 3.81Å; S353-I357 WeakPolarHBondContact O-CB 3.3Å; S353-I357 PolarHBondContact O-N 3.23Å; I357-D359 VanDerWaalsContact C-N 3.29Å; I357-D359 PolarHBondContact O-N 2.91Å; I357-F360 PolarHBondContact O-N 2.86Å; I357-M395 HydrophobicContact CB-SD 3.85Å; I357-M395 HydrophobicContact CD1-CE 4.16Å; I357-M395 HydrophobicContact CD1-SD 4.31Å; I357-M395 HydrophobicContact CG1-CE 4.47Å; I357-M395 HydrophobicContact CG1-SD 3.98Å; I357-M395 HydrophobicContact CG2-SD 4.19Å; I357-Q399 WeakPolarHBondContact CD1-O 3.37Å; I357-Q399 HydrophobicContact CG1-CB 4.49Å; I357-Q399 WeakPolarHBondContact CG1-O 2.9Å; I357-A402 HydrophobicContact CD1-CB 3.94Å; I357-A402 HydrophobicContact CG1-CB 4.01Å; I357-L403 HydrophobicContact CD1-CD1 3.58Å
358	K	91.7	Very high	91.4	Very high	155 Å²	155	41.7 Å²	41.7	67%	0.674	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-66.9	-27.2	177.1	-66.2	-179.8	-179.4	176.1	0	113.2	N356 F360 I361	N356-K358 PolarHBondContact O-N 2.86Å; K358-F360 VanDerWaalsContact C-N 3.26Å; K358-F360 PolarHBondContact O-N 2.9Å; K358-I361 HydrophobicContact CB-CD1 4.41Å; K358-I361 HydrophobicContact CG-CD1 4.48Å; K358-I361 WeakPolarHBondContact O-CB 3.03Å; K358-I361 PolarHBondContact O-N 2.84Å
359	D	91	Very high	91.6	Very high	88 Å²	88	43.1 Å²	43.1	47%	0.471	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-71.1	-25.2	-178.7	-55.8	-39	0	0	0	111.8	I348 N356 I357 I361	I348-D359 HydrophobicContact CD1-CB 4.27Å; N356-D359 WeakPolarHBondContact O-CB 3.42Å; N356-D359 PolarHBondContact O-N 3.45Å; I357-D359 VanDerWaalsContact C-N 3.29Å; I357-D359 PolarHBondContact O-N 2.91Å; D359-I361 VanDerWaalsContact C-N 3.35Å
360	F	93.1	Very high	92.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-76.4	-16.6	175.3	-65.7	-93.1	0	0	0	113.7	I348 V352 N356 I357 K358 G362 C363 V366 I370 A402 L403	I348-F360 HydrophobicContact CB-CZ 4.41Å; I348-F360 HydrophobicContact CD1-CD1 4.44Å; I348-F360 HydrophobicContact CD1-CD2 4.24Å; I348-F360 HydrophobicContact CD1-CE1 3.99Å; I348-F360 HydrophobicContact CD1-CE2 3.77Å; I348-F360 HydrophobicContact CD1-CZ 3.64Å; I348-F360 HydrophobicContact CG1-CE1 3.84Å; I348-F360 HydrophobicContact CG1-CE2 4.41Å; I348-F360 HydrophobicContact CG1-CZ 3.77Å; I348-F360 HydrophobicContact CG2-CE1 4.46Å; I348-F360 HydrophobicContact CG2-CZ 3.78Å; V352-F360 HydrophobicContact CG1-CE2 4.34Å; V352-F360 HydrophobicContact CG2-CE2 4.33Å; V352-F360 HydrophobicContact CG2-CZ 3.97Å; N356-F360 WeakPolarHBondContact O-CD2 3.35Å; I357-F360 PolarHBondContact O-N 2.86Å; K358-F360 VanDerWaalsContact C-N 3.26Å; K358-F360 PolarHBondContact O-N 2.9Å; F360-G362 PolarHBondContact O-N 2.92Å; F360-C363 WeakPolarHBondContact O-CB 3.44Å; F360-C363 PolarHBondContact O-N 2.81Å; F360-V366 HydrophobicContact CD1-CG2 4.04Å; F360-V366 HydrophobicContact CE1-CG2 3.91Å; F360-I370 HydrophobicContact CE1-CG1 4.44Å; F360-A402 CarbonylContact C-O 3.57Å; F360-A402 VanDerWaalsContact O-O 3.12Å; F360-L403 HydrophobicContact CB-CG 4.25Å; F360-L403 HydrophobicContact CD1-CD2 3.83Å; F360-L403 HydrophobicContact CD1-CG 3.88Å; F360-L403 HydrophobicContact CE1-CD2 3.89Å; F360-L403 HydrophobicContact CE1-CG 4.43Å; F360-L403 HydrophobicContact CG-CD2 4.42Å; F360-L403 HydrophobicContact CG-CG 4.09Å
361	I	89	Confident	92.4	Very high	99 Å²	99	34.9 Å²	34.9	51%	0.508	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	122	-174.5	-63.2	174.6	0	0	0	110.4	K344 K358 D359 C363 A402	K344-I361 PolarHBondContact NZ-O 3.33Å; K358-I361 HydrophobicContact CB-CD1 4.41Å; K358-I361 HydrophobicContact CG-CD1 4.48Å; K358-I361 WeakPolarHBondContact O-CB 3.03Å; K358-I361 PolarHBondContact O-N 2.84Å; D359-I361 VanDerWaalsContact C-N 3.35Å; I361-C363 PolarHBondContact O-N 3.18Å; I361-A402 HydrophobicContact CG1-CB 3.94Å
362	G	86.3	Confident	92.6	Very high	33 Å²	33	33.6 Å²	33.6	34%	0.34	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	8.5	-175.8	0	0	0	0	0	114.3	K344 F360 S405	K344-G362 WeakPolarHBondContact CB-O 3.16Å; F360-G362 PolarHBondContact O-N 2.92Å; G362-S405 VanDerWaalsContact C-OG 3.31Å; G362-S405 WeakPolarHBondContact CA-OG 3.37Å
363	C	92.2	Very high	92.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.19	C	C	.	.			trans	-73.3	127.8	179	-155.5	0	0	0	0	111	C346 F360 I361 K365 S405 V406	C346-C363 HydrophobicContact CB-CB 4.18Å; C346-C363 WeakPolarHBondContact CB-SG 3.5Å; C346-C363 PolarHBondContact N-SG 2.84Å; C346-C363 VanDerWaalsContact N-SG 3.44Å; C346-C363 WeakPolarHBondContact SG-CB 3.03Å; C346-C363 CovalentContact SG-SG 2.03Å; C346-C363 PolarHBondContact SG-SG 3.5Å; F360-C363 WeakPolarHBondContact O-CB 3.44Å; F360-C363 PolarHBondContact O-N 2.81Å; I361-C363 PolarHBondContact O-N 3.18Å; C363-K365 PolarHBondContact SG-O 2.82Å; C363-K365 VanDerWaalsContact SG-O 3.35Å; C363-S405 PolarHBondContact N-OG 3.16Å; C363-S405 VanDerWaalsContact N-OG 3.15Å; C363-S405 CarbonylContact O-C 3.46Å; C363-S405 VanDerWaalsContact O-CB 3.3Å; C363-S405 WeakPolarHBondContact O-CB 3.45Å; C363-S405 PolarHBondContact O-OG 3.14Å; C363-V406 HydrophobicContact CB-CG2 4.39Å; C363-V406 WeakPolarHBondContact O-CA 3.43Å; C363-V406 WeakPolarHBondContact O-CG2 3.17Å; C363-V406 PolarHBondContact O-N 2.84Å; C363-V406 VanDerWaalsContact O-N 3.14Å
364	T	92.2	Very high	92.3	Very high	14 Å²	14	43.8 Å²	43.8	9%	0.086	21%	0.214	C	C	.	.	S	Bend	trans	-102.9	-23.6	174.3	65.7	0	0	0	0	112.6	V341 C342 P343 K344 S405 R407 Q408	V341-T364 HydrophobicContact CB-CG2 4.03Å; V341-T364 HydrophobicContact CG1-CG2 3.69Å; C342-T364 WeakPolarHBondContact O-CG2 3.47Å; P343-T364 WeakPolarHBondContact CA-OG1 3.23Å; K344-T364 PolarHBondContact N-OG1 3.17Å; K344-T364 PolarHBondContact O-N 3.3Å; K344-T364 PolarHBondContact O-OG1 2.84Å; T364-S405 WeakPolarHBondContact CA-O 3.39Å; T364-R407 PolarHBondContact O-N 2.83Å; T364-Q408 PolarHBondContact O-N 2.92Å
365	K	92.9	Very high	92	Very high	53 Å²	53	44.1 Å²	44.1	23%	0.23	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	115.3	178.1	-178.9	175.5	-174.8	159.6	0	111.3	K344 T345 C346 C363 Q408	K344-K365 PolarHBondContact O-N 3.28Å; T345-K365 CarbonylContact C-O 3.58Å; T345-K365 VanDerWaalsContact CA-O 3.27Å; T345-K365 WeakPolarHBondContact CA-O 3.47Å; T345-K365 HydrophobicContact CG2-CD 4.32Å; T345-K365 HydrophobicContact CG2-CG 4.29Å; C346-K365 PolarHBondContact N-O 2.83Å; C363-K365 PolarHBondContact SG-O 2.82Å; C363-K365 VanDerWaalsContact SG-O 3.35Å; K365-Q408 WeakPolarHBondContact CA-O 3.33Å; K365-Q408 HydrophobicContact CB-CB 4.43Å; K365-Q408 VanDerWaalsContact CD-OE1 3.27Å; K365-Q408 HydrophobicContact CG-CB 4.22Å; K365-Q408 HydrophobicContact CG-CG 4.31Å; K365-Q408 VanDerWaalsContact NZ-OE1 3.17Å
366	V	95.6	Very high	92.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	111.4	170.3	172.5	0	0	0	0	108.4	I348 F360 G368 I370 V406 Q408 V409 T410	I348-V366 HydrophobicContact CB-CG1 3.95Å; I348-V366 HydrophobicContact CG1-CG1 3.76Å; F360-V366 HydrophobicContact CD1-CG2 4.04Å; F360-V366 HydrophobicContact CE1-CG2 3.91Å; V366-G368 PolarHBondContact O-N 3.3Å; V366-I370 HydrophobicContact CG1-CG1 4.43Å; V366-I370 HydrophobicContact CG2-CD1 4.41Å; V366-I370 HydrophobicContact CG2-CG1 4.48Å; V366-V406 HydrophobicContact CG2-CG1 3.9Å; V366-V406 HydrophobicContact CG2-CG2 3.96Å; V366-Q408 PolarHBondContact N-O 3Å; V366-V409 HydrophobicContact CB-CG2 4.33Å; V366-T410 PolarHBondContact O-N 2.83Å; V366-T410 PolarHBondContact O-OG1 2.9Å
367	D	92.3	Very high	92.2	Very high	54 Å²	54	39.2 Å²	39.2	29%	0.289	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	92.9	165	-158.9	11.7	0	0	0	108.8	T345 C346 I347 I348 T410 R435	T345-D367 HydrophobicContact CG2-CB 4.01Å; C346-D367 PolarHBondContact O-N 2.81Å; I347-D367 WeakPolarHBondContact CA-O 3.42Å; I348-D367 PolarHBondContact N-O 2.77Å; D367-T410 WeakPolarHBondContact CA-OG1 3.02Å; D367-T410 HydrophobicContact CB-CG2 4.33Å; D367-T410 WeakPolarHBondContact OD1-CB 3.36Å; D367-T410 WeakPolarHBondContact OD1-CG2 3.02Å; D367-T410 PolarHBondContact OD1-OG1 3.09Å; D367-R435 IonicContact OD1-NH1 2.7Å
368	G	92.5	Very high	92	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.9	-169.9	-156.1	0	0	0	0	0	111.7	I348 V366 V409 T410 H411	I348-G368 WeakPolarHBondContact O-CA 3.17Å; V366-G368 PolarHBondContact O-N 3.3Å; G368-V409 WeakPolarHBondContact O-CG1 3.3Å; G368-T410 PolarHBondContact N-OG1 3.05Å; G368-H411 VanDerWaalsContact CA-ND1 3.31Å; G368-H411 WeakPolarHBondContact CA-ND1 3.4Å; G368-H411 VanDerWaalsContact O-CB 3.22Å; G368-H411 WeakPolarHBondContact O-CB 3.14Å; G368-H411 PolarHBondContact O-N 3.04Å; G368-H411 PolarHBondContact O-ND1 3.1Å
369	F	95.4	Very high	91.8	Very high	37 Å²	37	43.6 Å²	43.6	16%	0.162	21%	0.208	C	C	.	.			trans	-112.2	165.1	171.9	48.7	-106.7	0	0	0	110.1	E349 E371 H411 Y412	E349-F369 WeakPolarHBondContact O-CZ 3.43Å; F369-E371 HydrophobicContact CD2-CB 4.3Å; F369-E371 HydrophobicContact CD2-CG 3.63Å; F369-E371 HydrophobicContact CE2-CG 3.95Å; F369-E371 HydrophobicContact CG-CG 4.38Å; F369-H411 HydrophobicContact CB-CB 4.08Å; F369-Y412 VanDerWaalsContact CA-O 3.28Å; F369-Y412 WeakPolarHBondContact CA-O 3.41Å; F369-Y412 HydrophobicContact CB-CD1 4.25Å; F369-Y412 HydrophobicContact CB-CD2 4.04Å; F369-Y412 HydrophobicContact CB-CE1 4.08Å; F369-Y412 HydrophobicContact CB-CE2 3.87Å; F369-Y412 HydrophobicContact CB-CG 4.24Å; F369-Y412 WeakPolarHBondContact CB-O 3.05Å; F369-Y412 HydrophobicContact CD1-CE1 4.23Å; F369-Y412 HydrophobicContact CG-CE1 4.42Å; F369-Y412 HydrophobicContact CG-CE2 4.25Å
370	I	97.3	Very high	91.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	107.4	164.7	-60.1	177.1	0	0	0	107	V352 F360 V366 I372 L403 V406 V409 Y412 V413 L414 L426	V352-I370 HydrophobicContact CG2-CG2 4.01Å; F360-I370 HydrophobicContact CE1-CG1 4.44Å; V366-I370 HydrophobicContact CG1-CG1 4.43Å; V366-I370 HydrophobicContact CG2-CD1 4.41Å; V366-I370 HydrophobicContact CG2-CG1 4.48Å; I370-I372 HydrophobicContact CG2-CD1 4.36Å; I370-I372 HydrophobicContact CG2-CG1 4.29Å; I370-L403 HydrophobicContact CD1-CD2 3.97Å; I370-L403 HydrophobicContact CG1-CD2 4.4Å; I370-L403 HydrophobicContact CG2-CD2 3.92Å; I370-V406 HydrophobicContact CD1-CG1 4.37Å; I370-V409 HydrophobicContact CD1-CG2 3.48Å; I370-V409 VanDerWaalsContact CD1-CG2 3.48Å; I370-V409 HydrophobicContact CG1-CG2 3.95Å; I370-Y412 PolarHBondContact N-O 2.94Å; I370-V413 HydrophobicContact CB-CG1 4.38Å; I370-V413 HydrophobicContact CB-CG2 4.33Å; I370-V413 CarbonylContact O-C 3.47Å; I370-V413 WeakPolarHBondContact O-CA 3.43Å; I370-L414 PolarHBondContact O-N 2.96Å; I370-L426 HydrophobicContact CD1-CD2 3.93Å
371	E	95.8	Very high	91	Very high	22 Å²	22	42.6 Å²	42.6	10%	0.103	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	118.2	170.3	-66	-162.4	171.5	0	0	109.7	H351 V352 F369 R373 Y412 L414	H351-E371 HydrophobicContact CB-CB 3.64Å; V352-E371 WeakPolarHBondContact CG2-O 3.44Å; V352-E371 PolarHBondContact N-O 2.8Å; F369-E371 HydrophobicContact CD2-CB 4.3Å; F369-E371 HydrophobicContact CD2-CG 3.63Å; F369-E371 HydrophobicContact CE2-CG 3.95Å; F369-E371 HydrophobicContact CG-CG 4.38Å; E371-R373 WeakPolarHBondContact OE2-CD 3.44Å; E371-R373 IonicContact OE2-NH1 2.65Å; E371-Y412 HydrophobicContact CG-CE2 4Å; E371-Y412 PolarHBondContact OE1-OH 2.83Å; E371-L414 WeakPolarHBondContact CA-O 3.42Å; E371-L414 HydrophobicContact CB-CB 4.44Å; E371-L414 HydrophobicContact CB-CD2 4.33Å; E371-L414 HydrophobicContact CG-CB 4.01Å; E371-L414 HydrophobicContact CG-CD2 3.86Å; E371-L414 HydrophobicContact CG-CG 4.48Å
372	I	94.9	Very high	90.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	116.1	169	-61.4	170.2	0	0	0	107.8	V352 I370 T376 F377 L400 L414 I415 Q416 L420 F425	V352-I372 HydrophobicContact CB-CG1 4.12Å; V352-I372 HydrophobicContact CG2-CG1 3.95Å; I370-I372 HydrophobicContact CG2-CD1 4.36Å; I370-I372 HydrophobicContact CG2-CG1 4.29Å; I372-T376 HydrophobicContact CG2-CG2 4.26Å; I372-F377 HydrophobicContact CG2-CE2 3.6Å; I372-F377 HydrophobicContact CG2-CZ 3.9Å; I372-L400 HydrophobicContact CD1-CD1 4.33Å; I372-L400 HydrophobicContact CD1-CD2 3.92Å; I372-L400 HydrophobicContact CG1-CD2 4.48Å; I372-L414 PolarHBondContact N-O 3.36Å; I372-I415 HydrophobicContact CB-CD1 3.99Å; I372-I415 HydrophobicContact CD1-CD1 4.02Å; I372-I415 HydrophobicContact CG1-CD1 4.31Å; I372-I415 WeakPolarHBondContact O-CA 2.98Å; I372-Q416 PolarHBondContact O-N 3.24Å; I372-L420 HydrophobicContact CG2-CD1 4.03Å; I372-F425 HydrophobicContact CD1-CE2 3.44Å; I372-F425 VanDerWaalsContact CD1-CE2 3.44Å; I372-F425 HydrophobicContact CD1-CZ 3.55Å
373	R	91.2	Very high	90.2	Very high	96 Å²	96	43.1 Å²	43.1	36%	0.362	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	175.3	-170	-67.8	164.5	47	133.7	3.6	110.4	E371 D375 T376 F377 Q416	E371-R373 WeakPolarHBondContact OE2-CD 3.44Å; E371-R373 IonicContact OE2-NH1 2.65Å; R373-D375 WeakPolarHBondContact CB-OD1 3.19Å; R373-D375 IonicContact CZ-OD1 2.83Å; R373-D375 IonicContact NE-OD1 2.67Å; R373-D375 PolarHBondContact NE-OD1 3.28Å; R373-D375 IonicContact NE-OD2 3.89Å; R373-D375 IonicContact NH2-OD1 3.91Å; R373-D375 PolarHBondContact NH2-OD1 3Å; R373-D375 PolarHBondContact O-N 2.94Å; R373-T376 PolarHBondContact N-OG1 3.01Å; R373-T376 VanDerWaalsContact O-CB 3.26Å; R373-T376 WeakPolarHBondContact O-CB 3.25Å; R373-T376 PolarHBondContact O-N 3.07Å; R373-T376 PolarHBondContact O-OG1 3.29Å; R373-F377 WeakPolarHBondContact O-CD2 3.36Å; R373-Q416 CarbonylContact C-O 3.58Å; R373-Q416 VanDerWaalsContact C-O 3.3Å; R373-Q416 WeakPolarHBondContact CA-O 3.27Å
374	K	88.6	Confident	89.3	Confident	118 Å²	118	44.9 Å²	44.9	51%	0.513	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-55.4	-41.9	172.8	179.6	171.1	176.6	169.2	0	111.9	T376 F377 E378 Q416	K374-T376 PolarHBondContact O-N 2.84Å; K374-F377 PolarHBondContact O-N 3.06Å; K374-E378 VanDerWaalsContact CE-CD 3.44Å; K374-E378 WeakPolarHBondContact CE-OE1 3.28Å; K374-E378 WeakPolarHBondContact CE-OE2 3.5Å; K374-E378 IonicContact NZ-OE1 3.33Å; K374-Q416 PolarHBondContact N-O 3.02Å
375	D	86.8	Confident	88.4	Confident	37 Å²	37	49.5 Å²	49.5	20%	0.198	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-66.9	-20	-179.3	51.7	-60.9	0	0	0	114	H351 R373 F377 E378 Y392	H351-D375 IonicContact CD2-OD2 3.2Å; H351-D375 IonicContact CE1-OD2 3.56Å; H351-D375 PolarHBondContact CE1-OD2 3.06Å; H351-D375 IonicContact NE2-OD2 2.96Å; H351-D375 PolarHBondContact NE2-OD2 3.17Å; R373-D375 WeakPolarHBondContact CB-OD1 3.19Å; R373-D375 IonicContact CZ-OD1 2.83Å; R373-D375 IonicContact NE-OD1 2.67Å; R373-D375 PolarHBondContact NE-OD1 3.28Å; R373-D375 IonicContact NE-OD2 3.89Å; R373-D375 IonicContact NH2-OD1 3.91Å; R373-D375 PolarHBondContact NH2-OD1 3Å; R373-D375 PolarHBondContact O-N 2.94Å; D375-F377 PolarHBondContact O-N 2.87Å; D375-E378 PolarHBondContact O-N 2.88Å; D375-E378 VanDerWaalsContact O-O 3.07Å; D375-Y392 WeakPolarHBondContact O-CE2 3.26Å; D375-Y392 PolarHBondContact OD2-OH 3.38Å
376	T	91.2	Very high	87.6	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-58.2	-29.2	170.9	-59.7	0	0	0	0	113.1	V352 I372 R373 K374 M395	V352-T376 WeakPolarHBondContact O-CB 3.09Å; V352-T376 WeakPolarHBondContact O-CG2 3.47Å; V352-T376 PolarHBondContact O-OG1 2.88Å; I372-T376 HydrophobicContact CG2-CG2 4.26Å; R373-T376 PolarHBondContact N-OG1 3.01Å; R373-T376 VanDerWaalsContact O-CB 3.26Å; R373-T376 WeakPolarHBondContact O-CB 3.25Å; R373-T376 PolarHBondContact O-N 3.07Å; R373-T376 PolarHBondContact O-OG1 3.29Å; K374-T376 PolarHBondContact O-N 2.84Å; T376-M395 HydrophobicContact CG2-CB 4.46Å; T376-M395 HydrophobicContact CG2-CE 3.5Å; T376-M395 HydrophobicContact CG2-CG 4.48Å; T376-M395 WeakPolarHBondContact O-CB 3.39Å; T376-M395 PolarHBondContact O-N 2.82Å; T376-M395 VanDerWaalsContact O-N 3.08Å
377	F	92.2	Very high	86.7	Confident	5 Å²	5	59.2 Å²	59.2	2%	0.022	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-109.4	13.9	-176.9	-52.4	-89.2	0	0	0	112.9	I372 R373 K374 D375 M395 L400 S417 R419 L420	I372-F377 HydrophobicContact CG2-CE2 3.6Å; I372-F377 HydrophobicContact CG2-CZ 3.9Å; R373-F377 WeakPolarHBondContact O-CD2 3.36Å; K374-F377 PolarHBondContact O-N 3.06Å; D375-F377 PolarHBondContact O-N 2.87Å; F377-M395 WeakPolarHBondContact CD1-O 3.43Å; F377-L400 HydrophobicContact CE1-CD1 4.13Å; F377-L400 HydrophobicContact CZ-CD1 3.9Å; F377-S417 VanDerWaalsContact CD2-OG 3.24Å; F377-S417 WeakPolarHBondContact CD2-OG 3.33Å; F377-S417 WeakPolarHBondContact CE2-OG 3.27Å; F377-R419 HydrophobicContact CG-CB 4.45Å; F377-R419 PolarHBondContact O-NH1 3.13Å; F377-R419 PolarHBondContact O-NH2 3.1Å; F377-L420 HydrophobicContact CE1-CD2 4.27Å; F377-L420 HydrophobicContact CE2-CG 4.42Å; F377-L420 HydrophobicContact CZ-CD1 4.45Å; F377-L420 HydrophobicContact CZ-CD2 3.7Å; F377-L420 HydrophobicContact CZ-CG 3.94Å
378	E	90.1	Very high	86	Confident	76 Å²	76	58.5 Å²	58.5	36%	0.355	31%	0.306	S	S	.	.	S	Bend	trans	-130.7	169.7	179.6	-64.8	-177.5	171.7	0	0	109.1	K374 D375 G380 R419	K374-E378 VanDerWaalsContact CE-CD 3.44Å; K374-E378 WeakPolarHBondContact CE-OE1 3.28Å; K374-E378 WeakPolarHBondContact CE-OE2 3.5Å; K374-E378 IonicContact NZ-OE1 3.33Å; D375-E378 PolarHBondContact O-N 2.88Å; D375-E378 VanDerWaalsContact O-O 3.07Å; E378-G380 PolarHBondContact O-N 3.44Å; E378-R419 IonicContact OE1-NH2 2.74Å
379	Y	86.9	Confident	85.4	Confident	183 Å²	183	64.9 Å²	64.9	72%	0.718	33%	0.334	S	S	*	.			trans	-72.2	127.1	175.2	-77	-86.2	0	0	0	109.2	D393 P394	Y379-D393 WeakPolarHBondContact CE1-OD1 3.4Å; Y379-P394 HydrophobicContact CD1-CG 4.26Å; Y379-P394 HydrophobicContact CD2-CG 3.57Å; Y379-P394 VanDerWaalsContact CE1-CD 3.48Å; Y379-P394 HydrophobicContact CE1-CG 4.25Å; Y379-P394 HydrophobicContact CE2-CG 3.54Å; Y379-P394 HydrophobicContact CG-CG 3.94Å
380	G	85.2	Confident	84.7	Confident	21 Å²	21	64.9 Å²	64.9	22%	0.216	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	-176.4	-176.9	0	0	0	0	0	113.9	E378 R391 Y392	E378-G380 PolarHBondContact O-N 3.44Å; G380-R391 WeakPolarHBondContact O-CA 3.43Å; G380-Y392 PolarHBondContact N-O 2.96Å; G380-Y392 PolarHBondContact O-N 3.44Å
381	A	83.1	Confident	84.2	Confident	46 Å²	46	75.5 Å²	75.5	38%	0.38	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	142.3	173.3	0	0	0	0	0	111.1	V390 Y392	A381-V390 CarbonylContact C-O 3.3Å; A381-V390 VanDerWaalsContact CA-O 3.22Å; A381-V390 WeakPolarHBondContact CA-O 3.48Å; A381-Y392 VanDerWaalsContact C-CE1 3.48Å
382	L	80	Confident	83.8	Confident	7 Å²	7	74.8 Å²	74.8	4%	0.037	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	140	169.2	-70.7	171	0	0	0	109.7	H350 F355 L384 F389 V390 Y392	H350-L382 HydrophobicContact CB-CD1 4.23Å; H350-L382 HydrophobicContact CB-CD2 3.95Å; F355-L382 HydrophobicContact CB-CD1 4.37Å; F355-L382 HydrophobicContact CD1-CD1 3.64Å; F355-L382 HydrophobicContact CE1-CD1 4.38Å; F355-L382 HydrophobicContact CG-CD1 4.32Å; L382-L384 HydrophobicContact CB-CD2 4.38Å; L382-F389 WeakPolarHBondContact O-CA 3.34Å; L382-V390 PolarHBondContact N-O 3.13Å; L382-V390 PolarHBondContact O-N 2.79Å; L382-Y392 HydrophobicContact CD1-CD1 4.42Å; L382-Y392 HydrophobicContact CD2-CE1 4.28Å; L382-Y392 HydrophobicContact CG-CD1 3.91Å; L382-Y392 HydrophobicContact CG-CE1 3.84Å
383	F	78.6	Confident	83.7	Confident	136 Å²	136	79.6 Å²	79.6	60%	0.596	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	113.4	161	-79.9	-103.8	0	0	0	107.9	F389	F383-F389 HydrophobicContact CD1-CE1 4.17Å; F383-F389 HydrophobicContact CD1-CE2 4.2Å; F383-F389 AromaticContact CD1-CZ 3.97Å; F383-F389 HydrophobicContact CD1-CZ 3.97Å; F383-F389 HydrophobicContact CD2-CD1 4.46Å; F383-F389 HydrophobicContact CD2-CE1 4.18Å; F383-F389 HydrophobicContact CE1-CD1 4.34Å; F383-F389 AromaticContact CE1-CE1 3.51Å; F383-F389 HydrophobicContact CE1-CE1 3.51Å; F383-F389 AromaticContact CE1-CE2 3.69Å; F383-F389 HydrophobicContact CE1-CE2 3.69Å; F383-F389 AromaticContact CE1-CZ 3.14Å; F383-F389 HydrophobicContact CE1-CZ 3.14Å; F383-F389 HydrophobicContact CE2-CD1 4.18Å; F383-F389 AromaticContact CE2-CE1 3.51Å; F383-F389 HydrophobicContact CE2-CE1 3.51Å; F383-F389 HydrophobicContact CE2-CZ 4.04Å; F383-F389 HydrophobicContact CG-CE1 4.49Å; F383-F389 HydrophobicContact CZ-CD1 4.14Å; F383-F389 AromaticContact CZ-CE1 3.15Å; F383-F389 HydrophobicContact CZ-CE1 3.15Å; F383-F389 HydrophobicContact CZ-CE2 4.19Å; F383-F389 AromaticContact CZ-CZ 3.2Å; F383-F389 HydrophobicContact CZ-CZ 3.2Å
384	L	73.5	Confident	83.6	Confident	37 Å²	37	77 Å²	77	19%	0.194	40%	0.395	C	S	.	.			trans	-84.3	157.5	172.9	-60.7	-171.7	0	0	0	110.4	H350 F355 L382 N386 D387 S388 V390	H350-L384 VanDerWaalsContact NE2-CD2 3.26Å; H350-L384 WeakPolarHBondContact NE2-CD2 3.41Å; F355-L384 HydrophobicContact CE1-CD2 4.49Å; L382-L384 HydrophobicContact CB-CD2 4.38Å; L384-N386 VanDerWaalsContact CB-OD1 3.23Å; L384-N386 WeakPolarHBondContact CB-OD1 3.4Å; L384-N386 PolarHBondContact O-N 3.45Å; L384-D387 PolarHBondContact O-N 3.33Å; L384-D387 VanDerWaalsContact O-N 3.1Å; L384-S388 PolarHBondContact N-O 2.99Å; L384-V390 HydrophobicContact CD1-CG2 3.56Å; L384-V390 HydrophobicContact CG-CG2 4.01Å
385	A	71.9	Confident	83.7	Confident	110 Å²	110	71.8 Å²	71.8	91%	0.909	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-5.9	-177.1	0	0	0	0	0	115.3
386	N	77.3	Confident	84	Confident	112 Å²	112	72.4 Å²	72.4	60%	0.599	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	21.3	175.9	66.2	-8.2	0	0	0	113	L384 S388	L384-N386 VanDerWaalsContact CB-OD1 3.23Å; L384-N386 WeakPolarHBondContact CB-OD1 3.4Å; L384-N386 PolarHBondContact O-N 3.45Å; N386-S388 PolarHBondContact ND2-OG 2.85Å; N386-S388 PolarHBondContact O-N 3Å; N386-S388 VanDerWaalsContact O-N 3.1Å; N386-S388 VanDerWaalsContact OD1-CB 3.27Å; N386-S388 WeakPolarHBondContact OD1-CB 3.14Å; N386-S388 PolarHBondContact OD1-N 2.78Å; N386-S388 VanDerWaalsContact OD1-N 3.11Å; N386-S388 PolarHBondContact OD1-OG 3.35Å
387	D	75.4	Confident	83.9	Confident	145 Å²	145	76.1 Å²	76.1	78%	0.775	40%	0.397	S	S	*	.	S	Bend	trans	57.2	15.7	-173.8	-68.9	-34	0	0	0	115	L384	L384-D387 PolarHBondContact O-N 3.33Å; L384-D387 VanDerWaalsContact O-N 3.1Å
388	S	78.4	Confident	83.8	Confident	40 Å²	40	83.9 Å²	83.9	28%	0.28	43%	0.433	S	S	.	.			trans	-87.9	140.6	174.6	75.1	0	0	0	0	112.3	L384 N386	L384-S388 PolarHBondContact N-O 2.99Å; N386-S388 PolarHBondContact ND2-OG 2.85Å; N386-S388 PolarHBondContact O-N 3Å; N386-S388 VanDerWaalsContact O-N 3.1Å; N386-S388 VanDerWaalsContact OD1-CB 3.27Å; N386-S388 WeakPolarHBondContact OD1-CB 3.14Å; N386-S388 PolarHBondContact OD1-N 2.78Å; N386-S388 VanDerWaalsContact OD1-N 3.11Å; N386-S388 PolarHBondContact OD1-OG 3.35Å
389	F	79	Confident	84	Confident	135 Å²	135	84 Å²	84	59%	0.592	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	117.3	174.4	-74.1	-108.5	0	0	0	109.4	L382 F383	L382-F389 WeakPolarHBondContact O-CA 3.34Å; F383-F389 HydrophobicContact CD1-CE1 4.17Å; F383-F389 HydrophobicContact CD1-CE2 4.2Å; F383-F389 AromaticContact CD1-CZ 3.97Å; F383-F389 HydrophobicContact CD1-CZ 3.97Å; F383-F389 HydrophobicContact CD2-CD1 4.46Å; F383-F389 HydrophobicContact CD2-CE1 4.18Å; F383-F389 HydrophobicContact CE1-CD1 4.34Å; F383-F389 AromaticContact CE1-CE1 3.51Å; F383-F389 HydrophobicContact CE1-CE1 3.51Å; F383-F389 AromaticContact CE1-CE2 3.69Å; F383-F389 HydrophobicContact CE1-CE2 3.69Å; F383-F389 AromaticContact CE1-CZ 3.14Å; F383-F389 HydrophobicContact CE1-CZ 3.14Å; F383-F389 HydrophobicContact CE2-CD1 4.18Å; F383-F389 AromaticContact CE2-CE1 3.51Å; F383-F389 HydrophobicContact CE2-CE1 3.51Å; F383-F389 HydrophobicContact CE2-CZ 4.04Å; F383-F389 HydrophobicContact CG-CE1 4.49Å; F383-F389 HydrophobicContact CZ-CD1 4.14Å; F383-F389 AromaticContact CZ-CE1 3.15Å; F383-F389 HydrophobicContact CZ-CE1 3.15Å; F383-F389 HydrophobicContact CZ-CE2 4.19Å; F383-F389 AromaticContact CZ-CZ 3.2Å; F383-F389 HydrophobicContact CZ-CZ 3.2Å
390	V	81.2	Confident	84.4	Confident	36 Å²	36	75.3 Å²	75.3	22%	0.218	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	117.5	173.5	-178.9	0	0	0	0	109.1	F355 A381 L382 L384	F355-V390 HydrophobicContact CD2-CG1 3.61Å; F355-V390 HydrophobicContact CE2-CG1 3.68Å; F355-V390 HydrophobicContact CG-CG1 4.17Å; F355-V390 HydrophobicContact CZ-CG1 4.28Å; A381-V390 CarbonylContact C-O 3.3Å; A381-V390 VanDerWaalsContact CA-O 3.22Å; A381-V390 WeakPolarHBondContact CA-O 3.48Å; L382-V390 PolarHBondContact N-O 3.13Å; L382-V390 PolarHBondContact O-N 2.79Å; L384-V390 HydrophobicContact CD1-CG2 3.56Å; L384-V390 HydrophobicContact CG-CG2 4.01Å
391	R	86.3	Confident	84.8	Confident	223 Å²	223	78.1 Å²	78.1	84%	0.842	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	146.7	173.4	-64.2	-178.6	-175.5	-125	0.2	109.9	G380	G380-R391 WeakPolarHBondContact O-CA 3.43Å
392	Y	88.2	Confident	85.3	Confident	7 Å²	7	77 Å²	77	3%	0.027	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	145.6	174.3	60.3	-104.2	0	0	0	110.3	H351 S354 D375 G380 A381 L382	H351-Y392 AromaticContact NE2-CZ 3.81Å; H351-Y392 PolarHBondContact NE2-OH 3Å; H351-Y392 VanDerWaalsContact NE2-OH 3.09Å; S354-Y392 WeakPolarHBondContact OG-CB 3.38Å; D375-Y392 WeakPolarHBondContact O-CE2 3.26Å; D375-Y392 PolarHBondContact OD2-OH 3.38Å; G380-Y392 PolarHBondContact N-O 2.96Å; G380-Y392 PolarHBondContact O-N 3.44Å; A381-Y392 VanDerWaalsContact C-CE1 3.48Å; L382-Y392 HydrophobicContact CD1-CD1 4.42Å; L382-Y392 HydrophobicContact CD2-CE1 4.28Å; L382-Y392 HydrophobicContact CG-CD1 3.91Å; L382-Y392 HydrophobicContact CG-CE1 3.84Å
393	D	92.1	Very high	86.1	Confident	101 Å²	101	76.7 Å²	76.7	54%	0.54	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-81.1	155.9	178.9	-62.7	-51.8	0	0	0	111.3	S354 Y379 M395	S354-D393 WeakPolarHBondContact CB-O 3.39Å; S354-D393 PolarHBondContact OG-N 3.44Å; S354-D393 PolarHBondContact OG-O 2.83Å; Y379-D393 WeakPolarHBondContact CE1-OD1 3.4Å; D393-M395 PolarHBondContact O-N 3.31Å
394	P	91	Very high	86.8	Confident	43 Å²	43	71.3 Å²	71.3	28%	0.279	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-55.1	133.9	173.4	-22.9	31.3	0	0	0	112	Y379	Y379-P394 HydrophobicContact CD1-CG 4.26Å; Y379-P394 HydrophobicContact CD2-CG 3.57Å; Y379-P394 VanDerWaalsContact CE1-CD 3.48Å; Y379-P394 HydrophobicContact CE1-CG 4.25Å; Y379-P394 HydrophobicContact CE2-CG 3.54Å; Y379-P394 HydrophobicContact CG-CG 3.94Å
395	M	90.6	Very high	87.8	Confident	7 Å²	7	70.2 Å²	70.2	3%	0.034	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-83.9	153.6	170.7	-62.3	-144.2	-59.1	0	0	113.2	V352 S354 I357 T376 F377 D393 Q399 L400	V352-M395 HydrophobicContact CG1-CE 3.62Å; S354-M395 PolarHBondContact N-SD 2.87Å; S354-M395 VanDerWaalsContact N-SD 3.44Å; I357-M395 HydrophobicContact CB-SD 3.85Å; I357-M395 HydrophobicContact CD1-CE 4.16Å; I357-M395 HydrophobicContact CD1-SD 4.31Å; I357-M395 HydrophobicContact CG1-CE 4.47Å; I357-M395 HydrophobicContact CG1-SD 3.98Å; I357-M395 HydrophobicContact CG2-SD 4.19Å; T376-M395 HydrophobicContact CG2-CB 4.46Å; T376-M395 HydrophobicContact CG2-CE 3.5Å; T376-M395 HydrophobicContact CG2-CG 4.48Å; T376-M395 WeakPolarHBondContact O-CB 3.39Å; T376-M395 PolarHBondContact O-N 2.82Å; T376-M395 VanDerWaalsContact O-N 3.08Å; F377-M395 WeakPolarHBondContact CD1-O 3.43Å; D393-M395 PolarHBondContact O-N 3.31Å; M395-Q399 VanDerWaalsContact CA-OE1 3.32Å; M395-Q399 HydrophobicContact SD-CB 4.34Å; M395-L400 HydrophobicContact CE-CD2 3.51Å; M395-L400 HydrophobicContact CE-CG 4.29Å
396	S	91.4	Very high	88.9	Confident	51 Å²	51	65 Å²	65	36%	0.357	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-87.6	163.2	161.4	69.8	0	0	0	0	111.6	E398 Q399	S396-E398 VanDerWaalsContact C-N 3.28Å; S396-E398 PolarHBondContact O-N 2.86Å; S396-Q399 PolarHBondContact O-N 2.8Å; S396-Q399 WeakPolarHBondContact OG-CG 3.49Å; S396-Q399 PolarHBondContact OG-N 2.66Å; S396-Q399 PolarHBondContact OG-OE1 3.26Å
397	E	89	Confident	89.7	Confident	78 Å²	78	63.3 Å²	63.3	36%	0.364	31%	0.313	S	S	.	.	S	Bend	trans	-65.4	-33	174.6	-169.7	169.1	-156.5	0	0	111.3	Q399 L400 L420 K421	E397-Q399 VanDerWaalsContact C-N 3.33Å; E397-Q399 PolarHBondContact O-N 2.77Å; E397-L400 WeakPolarHBondContact O-CB 3.39Å; E397-L400 PolarHBondContact O-N 3.23Å; E397-L420 HydrophobicContact CG-CD2 4.03Å; E397-K421 PolarHBondContact OE1-N 3.32Å
398	E	91.8	Very high	90.7	Very high	168 Å²	168	57.9 Å²	57.9	79%	0.785	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-62.1	-35.7	178.2	-64.6	171.5	-172.3	0	0	113	S396 L400 E401	S396-E398 VanDerWaalsContact C-N 3.28Å; S396-E398 PolarHBondContact O-N 2.86Å; E398-L400 PolarHBondContact O-N 3.07Å; E398-E401 VanDerWaalsContact O-CB 3.27Å; E398-E401 WeakPolarHBondContact O-CB 3.25Å; E398-E401 PolarHBondContact O-N 3.21Å; E398-E401 VanDerWaalsContact O-N 3.13Å
399	Q	93.4	Very high	91.5	Very high	79 Å²	79	56 Å²	56	37%	0.369	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-65	-22	178.6	-72.7	172.7	-68.2	0	0	113	I357 M395 S396 E397 E401 A402	I357-Q399 WeakPolarHBondContact CD1-O 3.37Å; I357-Q399 HydrophobicContact CG1-CB 4.49Å; I357-Q399 WeakPolarHBondContact CG1-O 2.9Å; M395-Q399 VanDerWaalsContact CA-OE1 3.32Å; M395-Q399 HydrophobicContact SD-CB 4.34Å; S396-Q399 PolarHBondContact O-N 2.8Å; S396-Q399 WeakPolarHBondContact OG-CG 3.49Å; S396-Q399 PolarHBondContact OG-N 2.66Å; S396-Q399 PolarHBondContact OG-OE1 3.26Å; E397-Q399 VanDerWaalsContact C-N 3.33Å; E397-Q399 PolarHBondContact O-N 2.77Å; Q399-E401 PolarHBondContact O-N 2.76Å; Q399-A402 WeakPolarHBondContact O-CB 2.99Å; Q399-A402 PolarHBondContact O-N 2.96Å
400	L	94.9	Very high	92.2	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-70.8	-14.1	176.6	-64.4	170.8	0	0	0	113.1	V352 I372 F377 M395 E397 E398 A402 L403 L420 F425	V352-L400 HydrophobicContact CG1-CD2 4.07Å; I372-L400 HydrophobicContact CD1-CD1 4.33Å; I372-L400 HydrophobicContact CD1-CD2 3.92Å; I372-L400 HydrophobicContact CG1-CD2 4.48Å; F377-L400 HydrophobicContact CE1-CD1 4.13Å; F377-L400 HydrophobicContact CZ-CD1 3.9Å; M395-L400 HydrophobicContact CE-CD2 3.51Å; M395-L400 HydrophobicContact CE-CG 4.29Å; E397-L400 WeakPolarHBondContact O-CB 3.39Å; E397-L400 PolarHBondContact O-N 3.23Å; E398-L400 PolarHBondContact O-N 3.07Å; L400-A402 PolarHBondContact O-N 3.34Å; L400-A402 VanDerWaalsContact O-N 3.08Å; L400-L403 HydrophobicContact CB-CD1 4.3Å; L400-L403 HydrophobicContact CD2-CD1 3.94Å; L400-L403 WeakPolarHBondContact O-CB 3.07Å; L400-L403 WeakPolarHBondContact O-CD1 3.49Å; L400-L403 PolarHBondContact O-N 2.96Å; L400-L420 HydrophobicContact CD1-CD2 3.74Å; L400-F425 HydrophobicContact CB-CB 4.15Å; L400-F425 HydrophobicContact CB-CD1 4.04Å; L400-F425 HydrophobicContact CB-CD2 3.94Å; L400-F425 HydrophobicContact CB-CE1 4.46Å; L400-F425 HydrophobicContact CB-CE2 4.39Å; L400-F425 HydrophobicContact CB-CG 3.77Å; L400-F425 HydrophobicContact CD1-CD1 4.24Å; L400-F425 HydrophobicContact CD1-CE1 3.91Å; L400-F425 HydrophobicContact CD1-CE2 4.44Å; L400-F425 HydrophobicContact CD1-CZ 4.03Å; L400-F425 WeakPolarHBondContact O-CB 3.3Å
401	E	95	Very high	92.9	Very high	80 Å²	80	48.9 Å²	48.9	37%	0.374	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-61.4	-16.5	174.1	-173.7	55.9	-164.1	0	0	112.6	E398 Q399 L403 S404 R427	E398-E401 VanDerWaalsContact O-CB 3.27Å; E398-E401 WeakPolarHBondContact O-CB 3.25Å; E398-E401 PolarHBondContact O-N 3.21Å; E398-E401 VanDerWaalsContact O-N 3.13Å; Q399-E401 PolarHBondContact O-N 2.76Å; E401-L403 PolarHBondContact O-N 2.66Å; E401-S404 WeakPolarHBondContact O-CB 3.39Å; E401-S404 PolarHBondContact O-N 3.1Å; E401-S404 PolarHBondContact O-OG 3.41Å; E401-S404 VanDerWaalsContact OE1-CB 3.3Å; E401-S404 WeakPolarHBondContact OE1-CB 3.2Å; E401-S404 PolarHBondContact OE1-OG 3.46Å; E401-R427 VanDerWaalsContact CD-NH1 3.28Å; E401-R427 IonicContact OE1-CZ 3.3Å; E401-R427 IonicContact OE1-NH1 3.46Å; E401-R427 PolarHBondContact OE1-NH1 3.31Å; E401-R427 IonicContact OE1-NH2 3.73Å; E401-R427 PolarHBondContact OE1-NH2 2.9Å; E401-R427 IonicContact OE2-CZ 2.71Å; E401-R427 IonicContact OE2-NH1 3.75Å; E401-R427 PolarHBondContact OE2-NH1 2.81Å
402	A	93.7	Very high	93.4	Very high	22 Å²	22	39.7 Å²	39.7	18%	0.182	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-57.5	-24.3	167.1	0	0	0	0	0	113.8	I357 F360 I361 Q399 L400 S404	I357-A402 HydrophobicContact CD1-CB 3.94Å; I357-A402 HydrophobicContact CG1-CB 4.01Å; F360-A402 CarbonylContact C-O 3.57Å; F360-A402 VanDerWaalsContact O-O 3.12Å; I361-A402 HydrophobicContact CG1-CB 3.94Å; Q399-A402 WeakPolarHBondContact O-CB 2.99Å; Q399-A402 PolarHBondContact O-N 2.96Å; L400-A402 PolarHBondContact O-N 3.34Å; L400-A402 VanDerWaalsContact O-N 3.08Å; A402-S404 VanDerWaalsContact C-N 3.33Å
403	L	95.8	Very high	93.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-84.7	-3.4	176.2	-64.4	94.7	0	0	0	113.4	V352 I357 F360 I370 L400 E401 S405 V406 F425 L426	V352-L403 HydrophobicContact CG1-CD1 4.34Å; V352-L403 HydrophobicContact CG2-CD2 4.41Å; I357-L403 HydrophobicContact CD1-CD1 3.58Å; F360-L403 HydrophobicContact CB-CG 4.25Å; F360-L403 HydrophobicContact CD1-CD2 3.83Å; F360-L403 HydrophobicContact CD1-CG 3.88Å; F360-L403 HydrophobicContact CE1-CD2 3.89Å; F360-L403 HydrophobicContact CE1-CG 4.43Å; F360-L403 HydrophobicContact CG-CD2 4.42Å; F360-L403 HydrophobicContact CG-CG 4.09Å; I370-L403 HydrophobicContact CD1-CD2 3.97Å; I370-L403 HydrophobicContact CG1-CD2 4.4Å; I370-L403 HydrophobicContact CG2-CD2 3.92Å; L400-L403 HydrophobicContact CB-CD1 4.3Å; L400-L403 HydrophobicContact CD2-CD1 3.94Å; L400-L403 WeakPolarHBondContact O-CB 3.07Å; L400-L403 WeakPolarHBondContact O-CD1 3.49Å; L400-L403 PolarHBondContact O-N 2.96Å; E401-L403 PolarHBondContact O-N 2.66Å; L403-S405 PolarHBondContact O-N 3.27Å; L403-S405 VanDerWaalsContact O-N 3.17Å; L403-V406 HydrophobicContact CB-CG2 4.43Å; L403-V406 VanDerWaalsContact O-CB 3.3Å; L403-V406 WeakPolarHBondContact O-CB 3.47Å; L403-V406 WeakPolarHBondContact O-CG2 3.01Å; L403-V406 PolarHBondContact O-N 2.92Å; L403-F425 CarbonylContact C-O 3.18Å; L403-F425 VanDerWaalsContact C-O 3.29Å; L403-F425 HydrophobicContact CB-CD2 4.41Å; L403-L426 HydrophobicContact CB-CD2 3.96Å; L403-L426 HydrophobicContact CD2-CD2 4.27Å
404	S	94.2	Very high	94.1	Very high	23 Å²	23	34.7 Å²	34.7	16%	0.161	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.8	-174.8	61.6	0	0	0	0	114.9	E401 A402 V406 F425 N428	E401-S404 WeakPolarHBondContact O-CB 3.39Å; E401-S404 PolarHBondContact O-N 3.1Å; E401-S404 PolarHBondContact O-OG 3.41Å; E401-S404 VanDerWaalsContact OE1-CB 3.3Å; E401-S404 WeakPolarHBondContact OE1-CB 3.2Å; E401-S404 PolarHBondContact OE1-OG 3.46Å; A402-S404 VanDerWaalsContact C-N 3.33Å; S404-V406 VanDerWaalsContact C-N 3.31Å; S404-F425 WeakPolarHBondContact CA-O 3.35Å; S404-F425 PolarHBondContact N-O 3.23Å; S404-N428 WeakPolarHBondContact O-CB 3.3Å; S404-N428 PolarHBondContact O-ND2 2.97Å
405	S	92.8	Very high	94.3	Very high	14 Å²	14	32.7 Å²	32.7	10%	0.098	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-13.3	175.6	52.7	0	0	0	0	113.8	G362 C363 T364 L403 R407	G362-S405 VanDerWaalsContact C-OG 3.31Å; G362-S405 WeakPolarHBondContact CA-OG 3.37Å; C363-S405 PolarHBondContact N-OG 3.16Å; C363-S405 VanDerWaalsContact N-OG 3.15Å; C363-S405 CarbonylContact O-C 3.46Å; C363-S405 VanDerWaalsContact O-CB 3.3Å; C363-S405 WeakPolarHBondContact O-CB 3.45Å; C363-S405 PolarHBondContact O-OG 3.14Å; T364-S405 WeakPolarHBondContact CA-O 3.39Å; L403-S405 PolarHBondContact O-N 3.27Å; L403-S405 VanDerWaalsContact O-N 3.17Å; S405-R407 PolarHBondContact O-N 2.79Å
406	V	95.7	Very high	94.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.179	C	C	.	.			trans	-70.7	113.4	-173.3	-179.6	0	0	0	0	110.6	C363 V366 I370 L403 S404 V409 N428 L429	C363-V406 HydrophobicContact CB-CG2 4.39Å; C363-V406 WeakPolarHBondContact O-CA 3.43Å; C363-V406 WeakPolarHBondContact O-CG2 3.17Å; C363-V406 PolarHBondContact O-N 2.84Å; C363-V406 VanDerWaalsContact O-N 3.14Å; V366-V406 HydrophobicContact CG2-CG1 3.9Å; V366-V406 HydrophobicContact CG2-CG2 3.96Å; I370-V406 HydrophobicContact CD1-CG1 4.37Å; L403-V406 HydrophobicContact CB-CG2 4.43Å; L403-V406 VanDerWaalsContact O-CB 3.3Å; L403-V406 WeakPolarHBondContact O-CB 3.47Å; L403-V406 WeakPolarHBondContact O-CG2 3.01Å; L403-V406 PolarHBondContact O-N 2.92Å; S404-V406 VanDerWaalsContact C-N 3.31Å; V406-V409 HydrophobicContact CG1-CG2 4.17Å; V406-N428 CarbonylContact O-C 3.59Å; V406-L429 HydrophobicContact CG1-CD1 4.45Å; V406-L429 WeakPolarHBondContact O-CA 3.26Å; V406-L429 PolarHBondContact O-N 2.95Å
407	R	94.7	Very high	94.3	Very high	78 Å²	78	34 Å²	34	29%	0.294	16%	0.163	S	C	.	.			trans	-95.1	-25.4	172.8	-65	-178.1	-179.3	171	0.7	112.7	Q339 T364 S405 N428 E430 K431	Q339-R407 PolarHBondContact O-NH1 2.75Å; Q339-R407 PolarHBondContact O-NH2 2.88Å; T364-R407 PolarHBondContact O-N 2.83Å; S405-R407 PolarHBondContact O-N 2.79Å; R407-N428 WeakPolarHBondContact CA-O 3.27Å; R407-N428 HydrophobicContact CG-CB 4.46Å; R407-E430 WeakPolarHBondContact CD-OE1 3.27Å; R407-E430 IonicContact NE-OE1 3.59Å; R407-E430 PolarHBondContact O-N 2.85Å; R407-K431 PolarHBondContact O-N 2.91Å; R407-K431 VanDerWaalsContact O-N 3.14Å
408	Q	94.8	Very high	94.4	Very high	30 Å²	30	35 Å²	35	14%	0.14	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	139.6	-173.2	-175.1	173.9	40.3	0	0	113.8	T364 K365 V366 K431 E433	T364-Q408 PolarHBondContact O-N 2.92Å; K365-Q408 WeakPolarHBondContact CA-O 3.33Å; K365-Q408 HydrophobicContact CB-CB 4.43Å; K365-Q408 VanDerWaalsContact CD-OE1 3.27Å; K365-Q408 HydrophobicContact CG-CB 4.22Å; K365-Q408 HydrophobicContact CG-CG 4.31Å; K365-Q408 VanDerWaalsContact NZ-OE1 3.17Å; V366-Q408 PolarHBondContact N-O 3Å; Q408-K431 WeakPolarHBondContact CA-O 3.37Å; Q408-K431 HydrophobicContact CG-CB 4.46Å; Q408-E433 HydrophobicContact CG-CG 4.5Å; Q408-E433 PolarHBondContact NE2-OE1 3.33Å
409	V	97	Very high	94.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	131.1	169	-179.7	0	0	0	0	109.8	V366 G368 I370 V406 V413 L429 K431 I432 E433	V366-V409 HydrophobicContact CB-CG2 4.33Å; G368-V409 WeakPolarHBondContact O-CG1 3.3Å; I370-V409 HydrophobicContact CD1-CG2 3.48Å; I370-V409 VanDerWaalsContact CD1-CG2 3.48Å; I370-V409 HydrophobicContact CG1-CG2 3.95Å; V406-V409 HydrophobicContact CG1-CG2 4.17Å; V409-V413 HydrophobicContact CB-CG2 4.32Å; V409-V413 HydrophobicContact CG1-CG2 4.26Å; V409-V413 HydrophobicContact CG2-CG2 4.03Å; V409-L429 HydrophobicContact CG2-CD1 3.84Å; V409-K431 PolarHBondContact N-O 3.13Å; V409-I432 WeakPolarHBondContact O-CA 3.38Å; V409-E433 PolarHBondContact O-N 3.27Å
410	T	92.7	Very high	94.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-84.2	-31.5	-176.7	64.8	0	0	0	0	114.4	V366 D367 G368 G434 R435	V366-T410 PolarHBondContact O-N 2.83Å; V366-T410 PolarHBondContact O-OG1 2.9Å; D367-T410 WeakPolarHBondContact CA-OG1 3.02Å; D367-T410 HydrophobicContact CB-CG2 4.33Å; D367-T410 WeakPolarHBondContact OD1-CB 3.36Å; D367-T410 WeakPolarHBondContact OD1-CG2 3.02Å; D367-T410 PolarHBondContact OD1-OG1 3.09Å; G368-T410 PolarHBondContact N-OG1 3.05Å; T410-G434 PolarHBondContact O-N 2.63Å; T410-R435 WeakPolarHBondContact O-CB 3.24Å; T410-R435 WeakPolarHBondContact O-CG 3.47Å; T410-R435 PolarHBondContact O-N 2.03Å
411	H	95.2	Very high	94.1	Very high	23 Å²	23	35.4 Å²	35.4	11%	0.106	16%	0.162	C	C	.	.	S	Bend	trans	-93.8	-111.7	172.9	-55.6	141	0	0	0	110.8	G368 F369 I432 G434 K436	G368-H411 VanDerWaalsContact CA-ND1 3.31Å; G368-H411 WeakPolarHBondContact CA-ND1 3.4Å; G368-H411 VanDerWaalsContact O-CB 3.22Å; G368-H411 WeakPolarHBondContact O-CB 3.14Å; G368-H411 PolarHBondContact O-N 3.04Å; G368-H411 PolarHBondContact O-ND1 3.1Å; F369-H411 HydrophobicContact CB-CB 4.08Å; H411-I432 VanDerWaalsContact O-CG2 3.29Å; H411-I432 WeakPolarHBondContact O-CG2 3.38Å; H411-G434 VanDerWaalsContact O-CA 3.25Å; H411-G434 WeakPolarHBondContact O-CA 3.46Å; H411-G434 PolarHBondContact O-N 2.88Å; H411-K436 CarbonylContact C-O 3.53Å; H411-K436 HydrophobicContact CB-CB 4.09Å; H411-K436 VanDerWaalsContact CD2-CG 3.45Å; H411-K436 WeakPolarHBondContact CD2-CG 3.36Å; H411-K436 WeakPolarHBondContact NE2-CD 3.3Å; H411-K436 WeakPolarHBondContact NE2-CE 3.47Å
412	Y	96.9	Very high	94.1	Very high	29 Å²	29	32 Å²	32	11%	0.114	15%	0.147	C	C	.	.			trans	-132.7	167.2	-173.6	57.9	-94.6	0	0	0	111.9	F369 I370 E371 L414 F438 A443	F369-Y412 VanDerWaalsContact CA-O 3.28Å; F369-Y412 WeakPolarHBondContact CA-O 3.41Å; F369-Y412 HydrophobicContact CB-CD1 4.25Å; F369-Y412 HydrophobicContact CB-CD2 4.04Å; F369-Y412 HydrophobicContact CB-CE1 4.08Å; F369-Y412 HydrophobicContact CB-CE2 3.87Å; F369-Y412 HydrophobicContact CB-CG 4.24Å; F369-Y412 WeakPolarHBondContact CB-O 3.05Å; F369-Y412 HydrophobicContact CD1-CE1 4.23Å; F369-Y412 HydrophobicContact CG-CE1 4.42Å; F369-Y412 HydrophobicContact CG-CE2 4.25Å; I370-Y412 PolarHBondContact N-O 2.94Å; E371-Y412 HydrophobicContact CG-CE2 4Å; E371-Y412 PolarHBondContact OE1-OH 2.83Å; Y412-L414 HydrophobicContact CD2-CB 4.31Å; Y412-L414 HydrophobicContact CE2-CB 4.31Å; Y412-F438 HydrophobicContact CD1-CB 4.34Å; Y412-F438 HydrophobicContact CD2-CB 3.8Å; Y412-F438 HydrophobicContact CE1-CB 4.49Å; Y412-F438 HydrophobicContact CE2-CB 3.95Å; Y412-F438 AromaticContact CE2-CD2 3.95Å; Y412-F438 HydrophobicContact CE2-CD2 3.95Å; Y412-F438 HydrophobicContact CE2-CG 4.37Å; Y412-F438 HydrophobicContact CG-CB 4Å; Y412-A443 CarbonylContact C-O 3.59Å; Y412-A443 VanDerWaalsContact CA-O 3.25Å; Y412-A443 WeakPolarHBondContact CA-O 3.49Å; Y412-A443 WeakPolarHBondContact CB-O 3.04Å
413	V	97.8	Very high	94.2	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.012	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	123.8	171.8	-178.9	0	0	0	0	109.4	I370 V409 I415 L426 L429 I432 A443 L444 Y445	I370-V413 HydrophobicContact CB-CG1 4.38Å; I370-V413 HydrophobicContact CB-CG2 4.33Å; I370-V413 CarbonylContact O-C 3.47Å; I370-V413 WeakPolarHBondContact O-CA 3.43Å; V409-V413 HydrophobicContact CB-CG2 4.32Å; V409-V413 HydrophobicContact CG1-CG2 4.26Å; V409-V413 HydrophobicContact CG2-CG2 4.03Å; V413-I415 HydrophobicContact CG1-CD1 4.27Å; V413-I415 HydrophobicContact CG1-CG1 4.4Å; V413-L426 HydrophobicContact CG1-CD1 4.39Å; V413-L429 HydrophobicContact CG2-CD2 4.2Å; V413-I432 HydrophobicContact CB-CD1 4.25Å; V413-I432 HydrophobicContact CG2-CD1 3.82Å; V413-I432 HydrophobicContact CG2-CG1 4.27Å; V413-A443 PolarHBondContact N-O 2.03Å; V413-L444 HydrophobicContact CB-CD1 3.9Å; V413-L444 HydrophobicContact CG1-CD1 4.06Å; V413-L444 WeakPolarHBondContact O-CA 3.37Å; V413-Y445 PolarHBondContact O-N 3.38Å
414	L	96.9	Very high	94.2	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	124	178.4	171.9	66.9	0	0	0	109.5	I370 E371 I372 Y412 F438 Y445	I370-L414 PolarHBondContact O-N 2.96Å; E371-L414 WeakPolarHBondContact CA-O 3.42Å; E371-L414 HydrophobicContact CB-CB 4.44Å; E371-L414 HydrophobicContact CB-CD2 4.33Å; E371-L414 HydrophobicContact CG-CB 4.01Å; E371-L414 HydrophobicContact CG-CD2 3.86Å; E371-L414 HydrophobicContact CG-CG 4.48Å; I372-L414 PolarHBondContact N-O 3.36Å; Y412-L414 HydrophobicContact CD2-CB 4.31Å; Y412-L414 HydrophobicContact CE2-CB 4.31Å; L414-F438 HydrophobicContact CD1-CD1 4.44Å; L414-F438 HydrophobicContact CD1-CE1 4.19Å; L414-F438 HydrophobicContact CD1-CE2 4.38Å; L414-F438 HydrophobicContact CD1-CZ 4.17Å; L414-F438 HydrophobicContact CD2-CD2 4.14Å; L414-F438 HydrophobicContact CD2-CE2 3.76Å; L414-F438 HydrophobicContact CD2-CZ 4.2Å; L414-Y445 CarbonylContact C-O 3.57Å; L414-Y445 WeakPolarHBondContact CA-O 3.36Å; L414-Y445 HydrophobicContact CD1-CD1 3.47Å; L414-Y445 VanDerWaalsContact CD1-CD1 3.47Å; L414-Y445 HydrophobicContact CD1-CE1 4.31Å; L414-Y445 HydrophobicContact CD1-CG 4.04Å
415	I	96.5	Very high	94.2	Very high	0 Å²	0	32 Å²	32	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	119.5	172.3	-50	-65	0	0	0	109.5	I372 V413 L420 L423 Y445 I446 T447 M452	I372-I415 HydrophobicContact CB-CD1 3.99Å; I372-I415 HydrophobicContact CD1-CD1 4.02Å; I372-I415 HydrophobicContact CG1-CD1 4.31Å; I372-I415 WeakPolarHBondContact O-CA 2.98Å; V413-I415 HydrophobicContact CG1-CD1 4.27Å; V413-I415 HydrophobicContact CG1-CG1 4.4Å; I415-L420 HydrophobicContact CG2-CD1 4.01Å; I415-L423 HydrophobicContact CD1-CD1 4.5Å; I415-L423 HydrophobicContact CD1-CD2 3.86Å; I415-L423 HydrophobicContact CG1-CD1 3.95Å; I415-L423 HydrophobicContact CG1-CD2 3.93Å; I415-L423 HydrophobicContact CG2-CD2 4.12Å; I415-Y445 PolarHBondContact N-O 3.17Å; I415-I446 HydrophobicContact CB-CG1 4.21Å; I415-I446 HydrophobicContact CB-CG2 4.3Å; I415-I446 HydrophobicContact CG1-CG1 4.24Å; I415-I446 WeakPolarHBondContact O-CA 3.4Å; I415-T447 PolarHBondContact O-N 3.33Å; I415-M452 HydrophobicContact CG2-CE 3.9Å
416	Q	92.2	Very high	94.4	Very high	82 Å²	82	31.4 Å²	31.4	38%	0.383	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	69.3	177.1	-171	174.9	-2.3	0	0	109.9	I372 R373 K374 T447	I372-Q416 PolarHBondContact O-N 3.24Å; R373-Q416 CarbonylContact C-O 3.58Å; R373-Q416 VanDerWaalsContact C-O 3.3Å; R373-Q416 WeakPolarHBondContact CA-O 3.27Å; K374-Q416 PolarHBondContact N-O 3.02Å; Q416-T447 HydrophobicContact CB-CG2 4.27Å; Q416-T447 HydrophobicContact CG-CG2 3.89Å
417	S	90.5	Very high	94.4	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.021	16%	0.155	C	C	.	.			trans	-144.3	131.1	179	-179.7	0	0	0	0	112.3	F377 R419 S449	F377-S417 VanDerWaalsContact CD2-OG 3.24Å; F377-S417 WeakPolarHBondContact CD2-OG 3.33Å; F377-S417 WeakPolarHBondContact CE2-OG 3.27Å; S417-R419 VanDerWaalsContact C-N 3.27Å; S417-R419 PolarHBondContact O-N 2.65Å; S417-R419 PolarHBondContact OG-N 3.31Å; S417-S449 PolarHBondContact N-OG 3.4Å; S417-S449 WeakPolarHBondContact O-CA 3.23Å; S417-S449 WeakPolarHBondContact O-CB 3.4Å; S417-S449 PolarHBondContact O-OG 2.02Å
418	E	89.1	Confident	94.3	Very high	99 Å²	99	34 Å²	34	46%	0.463	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-10.8	177	-63	173.1	-168	0	0	113.4	H448 F450 S451	E418-H448 WeakPolarHBondContact CG-O 3.03Å; E418-F450 HydrophobicContact CG-CD2 3.68Å; E418-F450 HydrophobicContact CG-CE2 4.15Å; E418-F450 WeakPolarHBondContact OE1-CE2 3.42Å; E418-S451 VanDerWaalsContact O-CB 3.23Å; E418-S451 WeakPolarHBondContact O-CB 3.34Å; E418-S451 PolarHBondContact O-OG 2.92Å
419	R	89.5	Confident	94.4	Very high	134 Å²	134	32.8 Å²	32.8	51%	0.506	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-20.9	-175.4	-64.6	-156.8	-170.1	159	16.4	114.9	F377 E378 S417	F377-R419 HydrophobicContact CG-CB 4.45Å; F377-R419 PolarHBondContact O-NH1 3.13Å; F377-R419 PolarHBondContact O-NH2 3.1Å; E378-R419 IonicContact OE1-NH2 2.74Å; S417-R419 VanDerWaalsContact C-N 3.27Å; S417-R419 PolarHBondContact O-N 2.65Å; S417-R419 PolarHBondContact OG-N 3.31Å
420	L	92.6	Very high	94.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.166	C	C	.	.			trans	-79.3	131.2	-175.8	-69.2	179.3	0	0	0	111.7	I372 F377 E397 L400 I415 L423 F425 S451 M452	I372-L420 HydrophobicContact CG2-CD1 4.03Å; F377-L420 HydrophobicContact CE1-CD2 4.27Å; F377-L420 HydrophobicContact CE2-CG 4.42Å; F377-L420 HydrophobicContact CZ-CD1 4.45Å; F377-L420 HydrophobicContact CZ-CD2 3.7Å; F377-L420 HydrophobicContact CZ-CG 3.94Å; E397-L420 HydrophobicContact CG-CD2 4.03Å; L400-L420 HydrophobicContact CD1-CD2 3.74Å; I415-L420 HydrophobicContact CG2-CD1 4.01Å; L420-L423 HydrophobicContact CD1-CD2 3.92Å; L420-F425 HydrophobicContact CD1-CE1 4.12Å; L420-F425 HydrophobicContact CD1-CZ 4.03Å; L420-F425 HydrophobicContact CD2-CE1 3.91Å; L420-S451 CarbonylContact O-C 3.53Å; L420-M452 WeakPolarHBondContact O-CA 3.04Å; L420-M452 PolarHBondContact O-N 3.03Å
421	K	93.4	Very high	94.4	Very high	122 Å²	122	39.7 Å²	39.7	53%	0.53	18%	0.179	S	C	.	.	S	Bend	trans	-87.3	-30.9	172.5	-67.8	175.9	-176.1	168	0	112.5	E397 M452 Q453	E397-K421 PolarHBondContact OE1-N 3.32Å; K421-M452 WeakPolarHBondContact O-CA 3.37Å; K421-Q453 PolarHBondContact O-N 3.42Å
422	S	95.3	Very high	94.5	Very high	10 Å²	10	38.6 Å²	38.6	7%	0.07	17%	0.173	C	C	.	.			trans	-153.4	179.8	175.7	74	0	0	0	0	111.7	S424 F425 Y454	S422-S424 PolarHBondContact OG-N 3.15Å; S422-S424 PolarHBondContact OG-OG 3.48Å; S422-F425 WeakPolarHBondContact O-CE1 3.24Å; S422-Y454 VanDerWaalsContact CA-O 3.31Å; S422-Y454 WeakPolarHBondContact CA-O 3.49Å; S422-Y454 VanDerWaalsContact CB-CE2 3.42Å; S422-Y454 VanDerWaalsContact CB-CZ 3.46Å; S422-Y454 WeakPolarHBondContact CB-O 3.26Å
423	L	95.9	Very high	94.3	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.016	18%	0.175	C	C	.	.			trans	-112.4	31	169.7	-48.5	175.1	0	0	0	111.4	I415 L420 F425 L426 I446 M452 L455 T457	I415-L423 HydrophobicContact CD1-CD1 4.5Å; I415-L423 HydrophobicContact CD1-CD2 3.86Å; I415-L423 HydrophobicContact CG1-CD1 3.95Å; I415-L423 HydrophobicContact CG1-CD2 3.93Å; I415-L423 HydrophobicContact CG2-CD2 4.12Å; L420-L423 HydrophobicContact CD1-CD2 3.92Å; L423-F425 HydrophobicContact CB-CE1 4.49Å; L423-F425 HydrophobicContact CB-CZ 4.4Å; L423-F425 HydrophobicContact CD2-CE1 4Å; L423-F425 HydrophobicContact CD2-CZ 3.63Å; L423-F425 PolarHBondContact O-N 3.49Å; L423-F425 VanDerWaalsContact O-N 3.12Å; L423-L426 WeakPolarHBondContact O-CA 2.97Å; L423-L426 PolarHBondContact O-N 3.32Å; L423-I446 HydrophobicContact CD1-CD1 3.9Å; L423-M452 HydrophobicContact CD1-CE 4.3Å; L423-M452 HydrophobicContact CD2-CE 3.75Å; L423-M452 HydrophobicContact CG-CE 3.93Å; L423-L455 CarbonylContact C-O 3.58Å; L423-L455 VanDerWaalsContact C-O 3.28Å; L423-L455 WeakPolarHBondContact CA-O 3.38Å; L423-L455 WeakPolarHBondContact CB-O 3.42Å; L423-L455 HydrophobicContact CD1-CD2 4.1Å; L423-L455 PolarHBondContact N-O 3.25Å; L423-T457 HydrophobicContact CB-CG2 3.99Å; L423-T457 HydrophobicContact CD1-CG2 4.4Å
424	S	95.3	Very high	94	Very high	29 Å²	29	38.5 Å²	38.5	20%	0.203	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-62	-16.4	178.5	-71.2	0	0	0	0	114.3	S422 L426 R427	S422-S424 PolarHBondContact OG-N 3.15Å; S422-S424 PolarHBondContact OG-OG 3.48Å; S424-L426 PolarHBondContact O-N 2.76Å; S424-R427 VanDerWaalsContact O-CB 3.23Å; S424-R427 WeakPolarHBondContact O-CB 3.39Å; S424-R427 VanDerWaalsContact O-CG 3.29Å; S424-R427 WeakPolarHBondContact O-CG 3.3Å; S424-R427 PolarHBondContact O-N 3.47Å; S424-R427 VanDerWaalsContact O-N 3.15Å; S424-R427 PolarHBondContact O-NH1 2.78Å
425	F	94.6	Very high	93.5	Very high	12 Å²	12	45 Å²	45	5%	0.053	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-69.8	-10.9	167.2	60.7	-96.4	0	0	0	113.3	I372 L400 L403 S404 L420 S422 L423	I372-F425 HydrophobicContact CD1-CE2 3.44Å; I372-F425 VanDerWaalsContact CD1-CE2 3.44Å; I372-F425 HydrophobicContact CD1-CZ 3.55Å; L400-F425 HydrophobicContact CB-CB 4.15Å; L400-F425 HydrophobicContact CB-CD1 4.04Å; L400-F425 HydrophobicContact CB-CD2 3.94Å; L400-F425 HydrophobicContact CB-CE1 4.46Å; L400-F425 HydrophobicContact CB-CE2 4.39Å; L400-F425 HydrophobicContact CB-CG 3.77Å; L400-F425 HydrophobicContact CD1-CD1 4.24Å; L400-F425 HydrophobicContact CD1-CE1 3.91Å; L400-F425 HydrophobicContact CD1-CE2 4.44Å; L400-F425 HydrophobicContact CD1-CZ 4.03Å; L400-F425 WeakPolarHBondContact O-CB 3.3Å; L403-F425 CarbonylContact C-O 3.18Å; L403-F425 VanDerWaalsContact C-O 3.29Å; L403-F425 HydrophobicContact CB-CD2 4.41Å; S404-F425 WeakPolarHBondContact CA-O 3.35Å; S404-F425 PolarHBondContact N-O 3.23Å; L420-F425 HydrophobicContact CD1-CE1 4.12Å; L420-F425 HydrophobicContact CD1-CZ 4.03Å; L420-F425 HydrophobicContact CD2-CE1 3.91Å; S422-F425 WeakPolarHBondContact O-CE1 3.24Å; L423-F425 HydrophobicContact CB-CE1 4.49Å; L423-F425 HydrophobicContact CB-CZ 4.4Å; L423-F425 HydrophobicContact CD2-CE1 4Å; L423-F425 HydrophobicContact CD2-CZ 3.63Å; L423-F425 PolarHBondContact O-N 3.49Å; L423-F425 VanDerWaalsContact O-N 3.12Å
426	L	96.4	Very high	93	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.01	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-109.7	24.4	168.4	-67	174	0	0	0	111.9	I370 L403 V413 L423 S424 N428 L429 T457	I370-L426 HydrophobicContact CD1-CD2 3.93Å; L403-L426 HydrophobicContact CB-CD2 3.96Å; L403-L426 HydrophobicContact CD2-CD2 4.27Å; V413-L426 HydrophobicContact CG1-CD1 4.39Å; L423-L426 WeakPolarHBondContact O-CA 2.97Å; L423-L426 PolarHBondContact O-N 3.32Å; S424-L426 PolarHBondContact O-N 2.76Å; L426-N428 PolarHBondContact O-N 3.06Å; L426-N428 VanDerWaalsContact O-N 3.1Å; L426-L429 HydrophobicContact CB-CB 4.21Å; L426-L429 HydrophobicContact CD1-CD2 4.39Å; L426-L429 VanDerWaalsContact O-CB 3.28Å; L426-L429 WeakPolarHBondContact O-CB 3.3Å; L426-L429 PolarHBondContact O-N 3.38Å; L426-T457 HydrophobicContact CB-CG2 4.27Å
427	R	94.5	Very high	93	Very high	85 Å²	85	49.3 Å²	49.3	32%	0.321	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-36.4	-179.1	59.4	-172.8	178.2	-83.6	3.3	114.1	E401 S424 V458 S459	E401-R427 VanDerWaalsContact CD-NH1 3.28Å; E401-R427 IonicContact OE1-CZ 3.3Å; E401-R427 IonicContact OE1-NH1 3.46Å; E401-R427 PolarHBondContact OE1-NH1 3.31Å; E401-R427 IonicContact OE1-NH2 3.73Å; E401-R427 PolarHBondContact OE1-NH2 2.9Å; E401-R427 IonicContact OE2-CZ 2.71Å; E401-R427 IonicContact OE2-NH1 3.75Å; E401-R427 PolarHBondContact OE2-NH1 2.81Å; S424-R427 VanDerWaalsContact O-CB 3.23Å; S424-R427 WeakPolarHBondContact O-CB 3.39Å; S424-R427 VanDerWaalsContact O-CG 3.29Å; S424-R427 WeakPolarHBondContact O-CG 3.3Å; S424-R427 PolarHBondContact O-N 3.47Å; S424-R427 VanDerWaalsContact O-N 3.15Å; S424-R427 PolarHBondContact O-NH1 2.78Å; R427-V458 HydrophobicContact CB-CG2 4.13Å; R427-V458 WeakPolarHBondContact O-CG2 3.41Å; R427-S459 VanDerWaalsContact O-CB 3.27Å; R427-S459 WeakPolarHBondContact O-CB 3.48Å; R427-S459 PolarHBondContact O-N 2.82Å; R427-S459 PolarHBondContact O-OG 3.18Å
428	N	93.9	Very high	93	Very high	48 Å²	48	51 Å²	51	26%	0.257	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-0.3	-178.7	-68	-42.2	0	0	0	114.3	S404 V406 R407 L426 E430	S404-N428 WeakPolarHBondContact O-CB 3.3Å; S404-N428 PolarHBondContact O-ND2 2.97Å; V406-N428 CarbonylContact O-C 3.59Å; R407-N428 WeakPolarHBondContact CA-O 3.27Å; R407-N428 HydrophobicContact CG-CB 4.46Å; L426-N428 PolarHBondContact O-N 3.06Å; L426-N428 VanDerWaalsContact O-N 3.1Å; N428-E430 PolarHBondContact O-N 3.44Å
429	L	96.7	Very high	93	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.021	23%	0.229	C	C	.	.			trans	-67	105.3	-179.6	178.5	62.4	0	0	0	110.6	V406 V409 V413 L426 I432 S459 L460	V406-L429 HydrophobicContact CG1-CD1 4.45Å; V406-L429 WeakPolarHBondContact O-CA 3.26Å; V406-L429 PolarHBondContact O-N 2.95Å; V409-L429 HydrophobicContact CG2-CD1 3.84Å; V413-L429 HydrophobicContact CG2-CD2 4.2Å; L426-L429 HydrophobicContact CB-CB 4.21Å; L426-L429 HydrophobicContact CD1-CD2 4.39Å; L426-L429 VanDerWaalsContact O-CB 3.28Å; L426-L429 WeakPolarHBondContact O-CB 3.3Å; L426-L429 PolarHBondContact O-N 3.38Å; L429-I432 HydrophobicContact CD2-CD1 4.4Å; L429-I432 HydrophobicContact CD2-CG1 4.35Å; L429-S459 CarbonylContact O-C 3.52Å; L429-L460 HydrophobicContact CG-CD1 4.44Å; L429-L460 WeakPolarHBondContact O-CA 3.41Å; L429-L460 PolarHBondContact O-N 2.83Å
430	E	95	Very high	92.7	Very high	85 Å²	85	50.7 Å²	50.7	40%	0.397	24%	0.241	S	C	.	.			trans	-88.6	-39.9	-177.9	-71.5	160.5	-153.4	0	0	112.5	R407 N428 S459 R461 S462	R407-E430 WeakPolarHBondContact CD-OE1 3.27Å; R407-E430 IonicContact NE-OE1 3.59Å; R407-E430 PolarHBondContact O-N 2.85Å; N428-E430 PolarHBondContact O-N 3.44Å; E430-S459 WeakPolarHBondContact CA-O 3.34Å; E430-R461 PolarHBondContact O-N 3.28Å; E430-S462 PolarHBondContact O-N 2.61Å; E430-S462 VanDerWaalsContact O-N 3.09Å
431	K	94.4	Very high	92.6	Very high	59 Å²	59	53.3 Å²	53.3	26%	0.257	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	132.1	-164.4	-173.8	-179.9	-179.5	-151.9	0	114.4	R407 Q408 V409 E433 S462	R407-K431 PolarHBondContact O-N 2.91Å; R407-K431 VanDerWaalsContact O-N 3.14Å; Q408-K431 WeakPolarHBondContact CA-O 3.37Å; Q408-K431 HydrophobicContact CG-CB 4.46Å; V409-K431 PolarHBondContact N-O 3.13Å; K431-E433 IonicContact NZ-OE1 3.79Å; K431-E433 PolarHBondContact NZ-OE1 2.75Å; K431-S462 CarbonylContact C-O 2.98Å; K431-S462 VanDerWaalsContact CA-O 3.29Å; K431-S462 WeakPolarHBondContact CA-O 3.45Å
432	I	97.1	Very high	92.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	124.1	166	-53.2	174.1	0	0	0	108.3	V409 H411 V413 L429 A443 L444 L460 S462 I463 L464	V409-I432 WeakPolarHBondContact O-CA 3.38Å; H411-I432 VanDerWaalsContact O-CG2 3.29Å; H411-I432 WeakPolarHBondContact O-CG2 3.38Å; V413-I432 HydrophobicContact CB-CD1 4.25Å; V413-I432 HydrophobicContact CG2-CD1 3.82Å; V413-I432 HydrophobicContact CG2-CG1 4.27Å; L429-I432 HydrophobicContact CD2-CD1 4.4Å; L429-I432 HydrophobicContact CD2-CG1 4.35Å; I432-A443 HydrophobicContact CG2-CB 4.08Å; I432-L444 HydrophobicContact CD1-CB 4.25Å; I432-L444 HydrophobicContact CD1-CD1 4.41Å; I432-L460 HydrophobicContact CG1-CD1 4.45Å; I432-S462 PolarHBondContact N-O 3.45Å; I432-I463 HydrophobicContact CB-CG1 4.29Å; I432-I463 HydrophobicContact CD1-CD1 4.38Å; I432-I463 HydrophobicContact CD1-CG1 4.36Å; I432-I463 WeakPolarHBondContact O-CA 3.13Å; I432-L464 PolarHBondContact O-N 3.39Å
433	E	93	Very high	92.7	Very high	29 Å²	29	48 Å²	48	14%	0.136	24%	0.235	C	C	.	.			trans	-85.6	-29.3	-177	-57	-156.9	138.2	0	0	114.5	Q408 V409 K431 R435 L464 N465	Q408-E433 HydrophobicContact CG-CG 4.5Å; Q408-E433 PolarHBondContact NE2-OE1 3.33Å; V409-E433 PolarHBondContact O-N 3.27Å; K431-E433 IonicContact NZ-OE1 3.79Å; K431-E433 PolarHBondContact NZ-OE1 2.75Å; E433-R435 HydrophobicContact CB-CG 4.25Å; E433-R435 IonicContact OE2-CZ 3.59Å; E433-R435 IonicContact OE2-NE 3.48Å; E433-R435 PolarHBondContact OE2-NE 3.37Å; E433-R435 IonicContact OE2-NH2 3.39Å; E433-R435 PolarHBondContact OE2-NH2 3.26Å; E433-L464 HydrophobicContact CG-CD1 4.45Å; E433-N465 PolarHBondContact O-N 3.07Å
434	G	90.7	Very high	92.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.236	C	C	.	.			trans	68.6	30.4	179.7	0	0	0	0	0	114.9	T410 H411 K436 N465	T410-G434 PolarHBondContact O-N 2.63Å; H411-G434 VanDerWaalsContact O-CA 3.25Å; H411-G434 WeakPolarHBondContact O-CA 3.46Å; H411-G434 PolarHBondContact O-N 2.88Å; G434-K436 PolarHBondContact O-N 2.68Å; G434-N465 PolarHBondContact O-ND2 3.07Å
435	R	86.5	Confident	92.8	Very high	138 Å²	138	48.5 Å²	48.5	52%	0.521	23%	0.233	S	C	.	.	S	Bend	trans	-62.2	-28.8	177	-60.2	179.1	-168.2	-172.9	-6.6	112.9	D367 T410 E433	D367-R435 IonicContact OD1-NH1 2.7Å; T410-R435 WeakPolarHBondContact O-CB 3.24Å; T410-R435 WeakPolarHBondContact O-CG 3.47Å; T410-R435 PolarHBondContact O-N 2.03Å; E433-R435 HydrophobicContact CB-CG 4.25Å; E433-R435 IonicContact OE2-CZ 3.59Å; E433-R435 IonicContact OE2-NE 3.48Å; E433-R435 PolarHBondContact OE2-NE 3.37Å; E433-R435 IonicContact OE2-NH2 3.39Å; E433-R435 PolarHBondContact OE2-NH2 3.26Å
436	K	86.4	Confident	92.9	Very high	133 Å²	133	48 Å²	48	58%	0.578	23%	0.23	S	C	*	.	S	Bend	trans	-129.4	149.8	163.3	-61.9	178.8	-169.1	174.1	0	106.7	H411 G434	H411-K436 CarbonylContact C-O 3.53Å; H411-K436 HydrophobicContact CB-CB 4.09Å; H411-K436 VanDerWaalsContact CD2-CG 3.45Å; H411-K436 WeakPolarHBondContact CD2-CG 3.36Å; H411-K436 WeakPolarHBondContact NE2-CD 3.3Å; H411-K436 WeakPolarHBondContact NE2-CE 3.47Å; G434-K436 PolarHBondContact O-N 2.68Å
437	L	91.6	Very high	92.8	Very high	40 Å²	40	48.1 Å²	48.1	21%	0.209	23%	0.232	C	C	.	.			trans	-125.1	142.5	-174.3	-59.9	179.6	0	0	0	110.9	S440 Y442 A443	L437-S440 PolarHBondContact O-N 2.93Å; L437-Y442 CarbonylContact C-O 3.56Å; L437-Y442 WeakPolarHBondContact CA-O 2.97Å; L437-A443 HydrophobicContact CD2-CB 3.95Å
438	F	91.8	Very high	92.6	Very high	40 Å²	40	48.2 Å²	48.2	18%	0.175	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-68.9	137.1	170.9	-175	-102.5	0	0	0	110.1	Y412 L414 S440 S441 Y442 Y445	Y412-F438 HydrophobicContact CD1-CB 4.34Å; Y412-F438 HydrophobicContact CD2-CB 3.8Å; Y412-F438 HydrophobicContact CE1-CB 4.49Å; Y412-F438 HydrophobicContact CE2-CB 3.95Å; Y412-F438 AromaticContact CE2-CD2 3.95Å; Y412-F438 HydrophobicContact CE2-CD2 3.95Å; Y412-F438 HydrophobicContact CE2-CG 4.37Å; Y412-F438 HydrophobicContact CG-CB 4Å; L414-F438 HydrophobicContact CD1-CD1 4.44Å; L414-F438 HydrophobicContact CD1-CE1 4.19Å; L414-F438 HydrophobicContact CD1-CE2 4.38Å; L414-F438 HydrophobicContact CD1-CZ 4.17Å; L414-F438 HydrophobicContact CD2-CD2 4.14Å; L414-F438 HydrophobicContact CD2-CE2 3.76Å; L414-F438 HydrophobicContact CD2-CZ 4.2Å; F438-S440 PolarHBondContact O-N 2.98Å; F438-S441 PolarHBondContact O-N 3.23Å; F438-Y442 HydrophobicContact CD1-CD2 4.47Å; F438-Y442 PolarHBondContact N-O 3.16Å; F438-Y442 PolarHBondContact O-N 2.97Å; F438-Y445 HydrophobicContact CD1-CD1 4.26Å; F438-Y445 AromaticContact CD1-CD2 3.73Å; F438-Y445 HydrophobicContact CD1-CD2 3.73Å; F438-Y445 HydrophobicContact CD1-CE2 4.09Å; F438-Y445 AromaticContact CD1-CG 3.8Å; F438-Y445 HydrophobicContact CD1-CG 3.8Å; F438-Y445 HydrophobicContact CE1-CD1 4.01Å; F438-Y445 HydrophobicContact CE1-CD2 4.02Å; F438-Y445 AromaticContact CE1-CE1 3.98Å; F438-Y445 HydrophobicContact CE1-CE1 3.98Å; F438-Y445 AromaticContact CE1-CE2 3.99Å; F438-Y445 HydrophobicContact CE1-CE2 3.99Å; F438-Y445 HydrophobicContact CE1-CG 4.01Å; F438-Y445 AromaticContact CE1-CZ 3.96Å
439	E	89.1	Confident	92.5	Very high	116 Å²	116	46 Å²	46	54%	0.542	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.1	35.1	-170.4	-65.9	-178.5	157.6	0	0	113.2	S441 Y442	E439-S441 PolarHBondContact O-N 3.18Å; E439-S441 PolarHBondContact O-OG 3.24Å; E439-Y442 HydrophobicContact CB-CD2 4.2Å; E439-Y442 HydrophobicContact CB-CE2 4.34Å
440	S	82.4	Confident	92.3	Very high	110 Å²	110	48.4 Å²	48.4	77%	0.769	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	9.6	-175.8	-55.8	0	0	0	0	115.7	L437 F438	L437-S440 PolarHBondContact O-N 2.93Å; F438-S440 PolarHBondContact O-N 2.98Å
441	S	90.6	Very high	92.1	Very high	54 Å²	54	46.8 Å²	46.8	38%	0.378	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134	-34.9	-166.8	-52.3	0	0	0	0	113.9	F438 E439 G466 D467	F438-S441 PolarHBondContact O-N 3.23Å; E439-S441 PolarHBondContact O-N 3.18Å; E439-S441 PolarHBondContact O-OG 3.24Å; S441-G466 WeakPolarHBondContact O-CA 3.35Å; S441-D467 PolarHBondContact O-N 2.86Å
442	Y	94.8	Very high	92.1	Very high	22 Å²	22	44 Å²	44	9%	0.086	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	134.8	-166.6	-53.4	-70	0	0	0	113.2	L437 F438 E439 Y445 D467 Y469 R496	L437-Y442 CarbonylContact C-O 3.56Å; L437-Y442 WeakPolarHBondContact CA-O 2.97Å; F438-Y442 HydrophobicContact CD1-CD2 4.47Å; F438-Y442 PolarHBondContact N-O 3.16Å; F438-Y442 PolarHBondContact O-N 2.97Å; E439-Y442 HydrophobicContact CB-CD2 4.2Å; E439-Y442 HydrophobicContact CB-CE2 4.34Å; Y442-Y445 HydrophobicContact CD1-CD2 4.44Å; Y442-Y445 AromaticContact CD2-CD2 3.49Å; Y442-Y445 HydrophobicContact CD2-CD2 3.49Å; Y442-Y445 VanDerWaalsContact CD2-CD2 3.49Å; Y442-Y445 AromaticContact CD2-CE2 3.66Å; Y442-Y445 HydrophobicContact CD2-CE2 3.66Å; Y442-Y445 HydrophobicContact CE2-CD2 4.03Å; Y442-Y445 AromaticContact CE2-CE2 3.74Å; Y442-Y445 HydrophobicContact CE2-CE2 3.74Å; Y442-Y445 AromaticContact CG-CD2 3.72Å; Y442-Y445 HydrophobicContact CG-CD2 3.72Å; Y442-Y445 HydrophobicContact CG-CE2 4.29Å; Y442-D467 CarbonylContact C-O 3.5Å; Y442-D467 VanDerWaalsContact CA-O 3.28Å; Y442-D467 WeakPolarHBondContact CA-O 3.49Å; Y442-D467 HydrophobicContact CD1-CB 3.76Å; Y442-D467 HydrophobicContact CE1-CB 4.1Å; Y442-Y469 HydrophobicContact CE1-CD2 4.13Å; Y442-Y469 HydrophobicContact CE1-CG 4.28Å; Y442-R496 PolarHBondContact OH-NH1 3.09Å; Y442-R496 VanDerWaalsContact OH-NH1 3.11Å
443	A	96.1	Very high	92.1	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-25.7	172.2	0	0	0	0	0	112.7	Y412 V413 I432 L437 I463 N465 D467	Y412-A443 CarbonylContact C-O 3.59Å; Y412-A443 VanDerWaalsContact CA-O 3.25Å; Y412-A443 WeakPolarHBondContact CA-O 3.49Å; Y412-A443 WeakPolarHBondContact CB-O 3.04Å; V413-A443 PolarHBondContact N-O 2.03Å; I432-A443 HydrophobicContact CG2-CB 4.08Å; L437-A443 HydrophobicContact CD2-CB 3.95Å; A443-I463 HydrophobicContact CB-CG2 3.68Å; A443-N465 WeakPolarHBondContact CB-O 3.35Å; A443-D467 PolarHBondContact N-O 2.96Å
444	L	97	Very high	92.2	Very high	10 Å²	10	49.1 Å²	49.1	5%	0.052	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	120.8	170.5	179.4	62.4	0	0	0	109	V413 I432 I446 L460 I463 V468 Y469 I470 W484	V413-L444 HydrophobicContact CB-CD1 3.9Å; V413-L444 HydrophobicContact CG1-CD1 4.06Å; V413-L444 WeakPolarHBondContact O-CA 3.37Å; I432-L444 HydrophobicContact CD1-CB 4.25Å; I432-L444 HydrophobicContact CD1-CD1 4.41Å; L444-I446 HydrophobicContact CD1-CD1 4.13Å; L444-I446 HydrophobicContact CD1-CG1 4.09Å; L444-I446 HydrophobicContact CG-CD1 4.38Å; L444-I446 HydrophobicContact CG-CG1 4.36Å; L444-L460 HydrophobicContact CD2-CD2 4.4Å; L444-I463 HydrophobicContact CB-CD1 4.28Å; L444-I463 HydrophobicContact CD2-CD1 4.41Å; L444-V468 HydrophobicContact CB-CG1 4.28Å; L444-V468 HydrophobicContact CB-CG2 4.19Å; L444-V468 HydrophobicContact CD2-CG1 4.07Å; L444-V468 HydrophobicContact CG-CG1 4.36Å; L444-V468 WeakPolarHBondContact O-CA 2.96Å; L444-Y469 PolarHBondContact O-N 3.41Å; L444-I470 HydrophobicContact CD2-CD1 4.45Å; L444-W484 HydrophobicContact CD2-CH2 4.14Å; L444-W484 HydrophobicContact CD2-CZ3 4.05Å
445	Y	96.7	Very high	92.5	Very high	31 Å²	31	49.2 Å²	49.2	12%	0.122	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	111.7	-177.9	-163.7	-82.7	0	0	0	110.2	V413 L414 I415 F438 Y442 T447 Y469	V413-Y445 PolarHBondContact O-N 3.38Å; L414-Y445 CarbonylContact C-O 3.57Å; L414-Y445 WeakPolarHBondContact CA-O 3.36Å; L414-Y445 HydrophobicContact CD1-CD1 3.47Å; L414-Y445 VanDerWaalsContact CD1-CD1 3.47Å; L414-Y445 HydrophobicContact CD1-CE1 4.31Å; L414-Y445 HydrophobicContact CD1-CG 4.04Å; I415-Y445 PolarHBondContact N-O 3.17Å; F438-Y445 HydrophobicContact CD1-CD1 4.26Å; F438-Y445 AromaticContact CD1-CD2 3.73Å; F438-Y445 HydrophobicContact CD1-CD2 3.73Å; F438-Y445 HydrophobicContact CD1-CE2 4.09Å; F438-Y445 AromaticContact CD1-CG 3.8Å; F438-Y445 HydrophobicContact CD1-CG 3.8Å; F438-Y445 HydrophobicContact CE1-CD1 4.01Å; F438-Y445 HydrophobicContact CE1-CD2 4.02Å; F438-Y445 AromaticContact CE1-CE1 3.98Å; F438-Y445 HydrophobicContact CE1-CE1 3.98Å; F438-Y445 AromaticContact CE1-CE2 3.99Å; F438-Y445 HydrophobicContact CE1-CE2 3.99Å; F438-Y445 HydrophobicContact CE1-CG 4.01Å; F438-Y445 AromaticContact CE1-CZ 3.96Å; Y442-Y445 HydrophobicContact CD1-CD2 4.44Å; Y442-Y445 AromaticContact CD2-CD2 3.49Å; Y442-Y445 HydrophobicContact CD2-CD2 3.49Å; Y442-Y445 VanDerWaalsContact CD2-CD2 3.49Å; Y442-Y445 AromaticContact CD2-CE2 3.66Å; Y442-Y445 HydrophobicContact CD2-CE2 3.66Å; Y442-Y445 HydrophobicContact CE2-CD2 4.03Å; Y442-Y445 AromaticContact CE2-CE2 3.74Å; Y442-Y445 HydrophobicContact CE2-CE2 3.74Å; Y442-Y445 AromaticContact CG-CD2 3.72Å; Y442-Y445 HydrophobicContact CG-CD2 3.72Å; Y442-Y445 HydrophobicContact CG-CE2 4.29Å; Y445-T447 HydrophobicContact CD1-CG2 4.08Å; Y445-T447 HydrophobicContact CE1-CG2 3.54Å; Y445-Y469 CarbonylContact C-O 3.51Å; Y445-Y469 WeakPolarHBondContact CA-O 3.37Å; Y445-Y469 AromaticContact CD2-CD1 3.92Å; Y445-Y469 HydrophobicContact CD2-CD1 3.92Å; Y445-Y469 HydrophobicContact CD2-CG 4.07Å; Y445-Y469 HydrophobicContact CE1-CD1 4.29Å; Y445-Y469 AromaticContact CE2-CD1 3.56Å; Y445-Y469 HydrophobicContact CE2-CD1 3.56Å; Y445-Y469 HydrophobicContact CE2-CE1 4.25Å; Y445-Y469 AromaticContact CE2-CG 3.91Å; Y445-Y469 HydrophobicContact CE2-CG 3.91Å; Y445-Y469 HydrophobicContact CG-CD1 4.45Å; Y445-Y469 AromaticContact CZ-CD1 3.77Å
446	I	96.3	Very high	92.9	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	113.8	-179.1	-54.8	178.4	0	0	0	108.7	I415 L423 L444 M452 L455 Y469 I470 A471 N473	I415-I446 HydrophobicContact CB-CG1 4.21Å; I415-I446 HydrophobicContact CB-CG2 4.3Å; I415-I446 HydrophobicContact CG1-CG1 4.24Å; I415-I446 WeakPolarHBondContact O-CA 3.4Å; L423-I446 HydrophobicContact CD1-CD1 3.9Å; L444-I446 HydrophobicContact CD1-CD1 4.13Å; L444-I446 HydrophobicContact CD1-CG1 4.09Å; L444-I446 HydrophobicContact CG-CD1 4.38Å; L444-I446 HydrophobicContact CG-CG1 4.36Å; I446-M452 HydrophobicContact CG2-CE 4.14Å; I446-M452 HydrophobicContact CG2-SD 4.1Å; I446-L455 HydrophobicContact CD1-CD2 3.66Å; I446-Y469 PolarHBondContact N-O 3.46Å; I446-I470 HydrophobicContact CB-CG1 4.24Å; I446-I470 HydrophobicContact CB-CG2 4.27Å; I446-I470 HydrophobicContact CD1-CD1 4.28Å; I446-I470 HydrophobicContact CD1-CG1 4.28Å; I446-I470 HydrophobicContact CG1-CG1 4.41Å; I446-I470 WeakPolarHBondContact O-CA 3.47Å; I446-A471 PolarHBondContact O-N 3.21Å; I446-N473 PolarHBondContact O-ND2 3.05Å
447	T	94.4	Very high	93.2	Very high	6 Å²	6	36.7 Å²	36.7	4%	0.037	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	154.6	-174.4	-158.7	0	0	0	0	112.5	I415 Q416 Y445 S449 A471	I415-T447 PolarHBondContact O-N 3.33Å; Q416-T447 HydrophobicContact CB-CG2 4.27Å; Q416-T447 HydrophobicContact CG-CG2 3.89Å; Y445-T447 HydrophobicContact CD1-CG2 4.08Å; Y445-T447 HydrophobicContact CE1-CG2 3.54Å; T447-S449 PolarHBondContact O-N 2.86Å; T447-S449 PolarHBondContact O-OG 3.34Å; T447-A471 WeakPolarHBondContact CA-O 3.49Å; T447-A471 PolarHBondContact OG1-O 3.18Å
448	H	91	Very high	93.3	Very high	87 Å²	87	35.8 Å²	35.8	40%	0.403	19%	0.189	S	C	.	.	S	Bend	trans	49.7	26	173.7	-57.7	77.9	0	0	0	114.3	E418 F450 N473	E418-H448 WeakPolarHBondContact CG-O 3.03Å; H448-F450 VanDerWaalsContact C-N 3.34Å; H448-F450 HydrophobicContact CB-CE1 4.27Å; H448-F450 HydrophobicContact CB-CE2 4.47Å; H448-F450 HydrophobicContact CB-CZ 3.98Å; H448-F450 AromaticContact CD2-CZ 3.86Å; H448-F450 PolarHBondContact O-N 3.38Å; H448-N473 PolarHBondContact N-OD1 2.81Å
449	S	91.6	Very high	93.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.189	C	C	.	.			trans	-96.7	68	-178.4	-57.2	0	0	0	0	108.3	S417 T447 S451 M452 N473	S417-S449 PolarHBondContact N-OG 3.4Å; S417-S449 WeakPolarHBondContact O-CA 3.23Å; S417-S449 WeakPolarHBondContact O-CB 3.4Å; S417-S449 PolarHBondContact O-OG 2.02Å; T447-S449 PolarHBondContact O-N 2.86Å; T447-S449 PolarHBondContact O-OG 3.34Å; S449-S451 VanDerWaalsContact C-N 3.34Å; S449-S451 PolarHBondContact O-N 2.85Å; S449-M452 VanDerWaalsContact O-CB 3.23Å; S449-M452 WeakPolarHBondContact O-CB 3.47Å; S449-M452 PolarHBondContact O-N 2.97Å; S449-M452 VanDerWaalsContact O-N 3.1Å; S449-N473 WeakPolarHBondContact CB-OD1 3.38Å; S449-N473 PolarHBondContact N-OD1 2.83Å
450	F	90.7	Very high	93.7	Very high	55 Å²	55	29.7 Å²	29.7	24%	0.241	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-35.9	-161.6	-56.3	-50.5	0	0	0	114.4	E418 H448 M452 S472 Y474 D475	E418-F450 HydrophobicContact CG-CD2 3.68Å; E418-F450 HydrophobicContact CG-CE2 4.15Å; E418-F450 WeakPolarHBondContact OE1-CE2 3.42Å; H448-F450 VanDerWaalsContact C-N 3.34Å; H448-F450 HydrophobicContact CB-CE1 4.27Å; H448-F450 HydrophobicContact CB-CE2 4.47Å; H448-F450 HydrophobicContact CB-CZ 3.98Å; H448-F450 AromaticContact CD2-CZ 3.86Å; H448-F450 PolarHBondContact O-N 3.38Å; F450-M452 VanDerWaalsContact C-N 3.3Å; F450-M452 PolarHBondContact O-N 3.28Å; F450-S472 VanDerWaalsContact CD1-O 3.28Å; F450-S472 WeakPolarHBondContact CD1-O 3.43Å; F450-S472 VanDerWaalsContact CE1-O 3.22Å; F450-S472 WeakPolarHBondContact CE1-O 3.4Å; F450-Y474 AromaticContact CD1-CD2 3.32Å; F450-Y474 HydrophobicContact CD1-CD2 3.32Å; F450-Y474 AromaticContact CD1-CE2 3.53Å; F450-Y474 HydrophobicContact CD1-CE2 3.53Å; F450-Y474 HydrophobicContact CD1-CG 4.09Å; F450-Y474 AromaticContact CE1-CD2 3.69Å; F450-Y474 HydrophobicContact CE1-CD2 3.69Å; F450-Y474 AromaticContact CE1-CE2 3.33Å; F450-Y474 HydrophobicContact CE1-CE2 3.33Å; F450-Y474 AromaticContact CE1-CZ 3.99Å; F450-Y474 HydrophobicContact CG-CD2 4.12Å; F450-Y474 HydrophobicContact CG-CE2 4.49Å; F450-Y474 HydrophobicContact CZ-CE2 4.17Å; F450-D475 WeakPolarHBondContact O-CB 3.4Å; F450-D475 PolarHBondContact O-N 3.19Å
451	S	92.1	Very high	94.1	Very high	52 Å²	52	28.6 Å²	28.6	36%	0.364	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-1.9	179.2	-43.9	0	0	0	0	114.4	E418 L420 S449 Q453	E418-S451 VanDerWaalsContact O-CB 3.23Å; E418-S451 WeakPolarHBondContact O-CB 3.34Å; E418-S451 PolarHBondContact O-OG 2.92Å; L420-S451 CarbonylContact O-C 3.53Å; S449-S451 VanDerWaalsContact C-N 3.34Å; S449-S451 PolarHBondContact O-N 2.85Å; S451-Q453 PolarHBondContact O-N 3.01Å
452	M	95.1	Very high	94.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.135	C	C	.	.			trans	-72.8	120.6	-178.3	-172.7	-176	-74.9	0	0	109.8	I415 L420 K421 L423 I446 S449 F450 L455 D475 L476	I415-M452 HydrophobicContact CG2-CE 3.9Å; L420-M452 WeakPolarHBondContact O-CA 3.04Å; L420-M452 PolarHBondContact O-N 3.03Å; K421-M452 WeakPolarHBondContact O-CA 3.37Å; L423-M452 HydrophobicContact CD1-CE 4.3Å; L423-M452 HydrophobicContact CD2-CE 3.75Å; L423-M452 HydrophobicContact CG-CE 3.93Å; I446-M452 HydrophobicContact CG2-CE 4.14Å; I446-M452 HydrophobicContact CG2-SD 4.1Å; S449-M452 VanDerWaalsContact O-CB 3.23Å; S449-M452 WeakPolarHBondContact O-CB 3.47Å; S449-M452 PolarHBondContact O-N 2.97Å; S449-M452 VanDerWaalsContact O-N 3.1Å; F450-M452 VanDerWaalsContact C-N 3.3Å; F450-M452 PolarHBondContact O-N 3.28Å; M452-L455 HydrophobicContact SD-CD2 3.7Å; M452-D475 CarbonylContact O-C 3.41Å; M452-L476 HydrophobicContact CG-CD1 4.21Å; M452-L476 WeakPolarHBondContact O-CA 3.42Å; M452-L476 WeakPolarHBondContact O-CB 3.37Å; M452-L476 PolarHBondContact O-N 3.16Å; M452-L476 HydrophobicContact SD-CD1 4.34Å; M452-L476 HydrophobicContact SD-CD2 4.33Å
453	Q	95.4	Very high	94.3	Very high	84 Å²	84	26.5 Å²	26.5	39%	0.393	13%	0.131	S	C	.	.			trans	-96.3	-34.6	-173.9	-59.7	-175.9	0.9	0	0	112.5	K421 S451 C477	K421-Q453 PolarHBondContact O-N 3.42Å; S451-Q453 PolarHBondContact O-N 3.01Å; Q453-C477 PolarHBondContact O-N 3.25Å
454	Y	96.7	Very high	94	Very high	53 Å²	53	30 Å²	30	21%	0.208	15%	0.149	C	C	.	.			trans	-153.8	165.3	179.9	65.8	-87.3	0	0	0	110	S422 W524 M530	S422-Y454 VanDerWaalsContact CA-O 3.31Å; S422-Y454 WeakPolarHBondContact CA-O 3.49Å; S422-Y454 VanDerWaalsContact CB-CE2 3.42Å; S422-Y454 VanDerWaalsContact CB-CZ 3.46Å; S422-Y454 WeakPolarHBondContact CB-O 3.26Å; Y454-W524 WeakPolarHBondContact CB-O 3.28Å; Y454-W524 WeakPolarHBondContact CD2-O 3.2Å; Y454-M530 HydrophobicContact CE2-CE 4.41Å
455	L	95.7	Very high	93.6	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	16%	0.162	C	C	.	.			trans	-86.7	-48	-178.7	-67.7	-178.2	0	0	0	112.7	L423 I446 M452 T457 I470 L476 I479 W484 W524	L423-L455 CarbonylContact C-O 3.58Å; L423-L455 VanDerWaalsContact C-O 3.28Å; L423-L455 WeakPolarHBondContact CA-O 3.38Å; L423-L455 WeakPolarHBondContact CB-O 3.42Å; L423-L455 HydrophobicContact CD1-CD2 4.1Å; L423-L455 PolarHBondContact N-O 3.25Å; I446-L455 HydrophobicContact CD1-CD2 3.66Å; M452-L455 HydrophobicContact SD-CD2 3.7Å; L455-T457 PolarHBondContact O-N 3.24Å; L455-I470 HydrophobicContact CD1-CD1 4.27Å; L455-L476 HydrophobicContact CD2-CD1 4.32Å; L455-L476 HydrophobicContact CD2-CD2 4.33Å; L455-L476 HydrophobicContact CG-CD1 4.37Å; L455-I479 HydrophobicContact CD1-CG2 3.58Å; L455-I479 HydrophobicContact CG-CG2 3.71Å; L455-W484 HydrophobicContact CD1-CH2 4.24Å; L455-W484 HydrophobicContact CD1-CZ2 4.21Å; L455-W524 HydrophobicContact CB-CE3 4.15Å; L455-W524 HydrophobicContact CD1-CE3 4.1Å; L455-W524 HydrophobicContact CD1-CZ3 3.9Å; L455-W524 PolarHBondContact N-O 2.77Å; L455-W524 VanDerWaalsContact N-O 3.12Å
456	G	94.8	Very high	93.3	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.			trans	72	5.6	-179.2	0	0	0	0	0	115.6	V458 W524	G456-V458 PolarHBondContact O-N 3.08Å; G456-W524 PolarHBondContact N-O 3.14Å
457	T	94.1	Very high	93.2	Very high	8 Å²	8	32.2 Å²	32.2	5%	0.049	16%	0.163	C	C	.	.			trans	-78.2	60	176.2	54.4	0	0	0	0	111.5	L423 L426 L455 S459 L460	L423-T457 HydrophobicContact CB-CG2 3.99Å; L423-T457 HydrophobicContact CD1-CG2 4.4Å; L426-T457 HydrophobicContact CB-CG2 4.27Å; L455-T457 PolarHBondContact O-N 3.24Å; T457-S459 VanDerWaalsContact C-N 3.28Å; T457-S459 PolarHBondContact O-N 3.17Å; T457-L460 WeakPolarHBondContact O-CB 2.98Å; T457-L460 PolarHBondContact O-N 3.08Å; T457-L460 VanDerWaalsContact O-N 3.11Å
458	V	93.4	Very high	93.2	Very high	22 Å²	22	31.9 Å²	31.9	13%	0.133	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-31.4	-167.4	-65.8	0	0	0	0	114.7	R427 G456 R461 W524 M530	R427-V458 HydrophobicContact CB-CG2 4.13Å; R427-V458 WeakPolarHBondContact O-CG2 3.41Å; G456-V458 PolarHBondContact O-N 3.08Å; V458-R461 VanDerWaalsContact O-CZ 3.28Å; V458-R461 PolarHBondContact O-NH1 3.2Å; V458-R461 PolarHBondContact O-NH2 3Å; V458-W524 HydrophobicContact CG1-CB 4.13Å; V458-W524 HydrophobicContact CG1-CG 4.44Å; V458-M530 HydrophobicContact CG1-SD 3.36Å; V458-M530 WeakPolarHBondContact CG1-SD 3.03Å
459	S	93.6	Very high	93.5	Very high	25 Å²	25	29 Å²	29	18%	0.175	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-5.2	-180	-63.7	0	0	0	0	114.5	R427 L429 E430 T457 R461	R427-S459 VanDerWaalsContact O-CB 3.27Å; R427-S459 WeakPolarHBondContact O-CB 3.48Å; R427-S459 PolarHBondContact O-N 2.82Å; R427-S459 PolarHBondContact O-OG 3.18Å; L429-S459 CarbonylContact O-C 3.52Å; E430-S459 WeakPolarHBondContact CA-O 3.34Å; T457-S459 VanDerWaalsContact C-N 3.28Å; T457-S459 PolarHBondContact O-N 3.17Å; S459-R461 WeakPolarHBondContact O-CG 3.32Å; S459-R461 PolarHBondContact O-N 2.83Å; S459-R461 VanDerWaalsContact O-N 3.12Å
460	L	95.2	Very high	93.6	Very high	2 Å²	2	29 Å²	29	1%	0.01	15%	0.148	C	C	.	.			trans	-65.4	116.7	-174.5	-172.7	64.4	0	0	0	111.2	L429 I432 L444 T457 W484 I488 W524	L429-L460 HydrophobicContact CG-CD1 4.44Å; L429-L460 WeakPolarHBondContact O-CA 3.41Å; L429-L460 PolarHBondContact O-N 2.83Å; I432-L460 HydrophobicContact CG1-CD1 4.45Å; L444-L460 HydrophobicContact CD2-CD2 4.4Å; T457-L460 WeakPolarHBondContact O-CB 2.98Å; T457-L460 PolarHBondContact O-N 3.08Å; T457-L460 VanDerWaalsContact O-N 3.11Å; L460-W484 HydrophobicContact CD2-CZ3 4.3Å; L460-I488 HydrophobicContact CG-CG2 4.33Å; L460-W524 HydrophobicContact CB-CH2 4.32Å; L460-W524 HydrophobicContact CB-CZ2 4.31Å; L460-W524 HydrophobicContact CD2-CH2 4.21Å
461	R	90.7	Very high	93.8	Very high	88 Å²	88	26.4 Å²	26.4	33%	0.332	14%	0.136	S	C	.	.			trans	-130.6	-15.4	-178.7	-63	-63.5	173.8	-83.4	-9.8	113.8	E430 V458 S459 R487	E430-R461 PolarHBondContact O-N 3.28Å; V458-R461 VanDerWaalsContact O-CZ 3.28Å; V458-R461 PolarHBondContact O-NH1 3.2Å; V458-R461 PolarHBondContact O-NH2 3Å; S459-R461 WeakPolarHBondContact O-CG 3.32Å; S459-R461 PolarHBondContact O-N 2.83Å; S459-R461 VanDerWaalsContact O-N 3.12Å; R461-R487 VanDerWaalsContact O-O 3.14Å
462	S	93.8	Very high	93.9	Very high	32 Å²	32	25.1 Å²	25.1	22%	0.224	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	127.5	-173.6	-173.4	0	0	0	0	113.7	E430 K431 I432 L464 I488	E430-S462 PolarHBondContact O-N 2.61Å; E430-S462 VanDerWaalsContact O-N 3.09Å; K431-S462 CarbonylContact C-O 2.98Å; K431-S462 VanDerWaalsContact CA-O 3.29Å; K431-S462 WeakPolarHBondContact CA-O 3.45Å; I432-S462 PolarHBondContact N-O 3.45Å; S462-L464 WeakPolarHBondContact OG-CD2 3.1Å; S462-I488 CarbonylContact C-O 3.52Å; S462-I488 WeakPolarHBondContact CA-O 3.4Å
463	I	95.4	Very high	93.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	106.1	165.4	-60	178.1	0	0	0	106.5	I432 A443 L444 V468 I488 S490	I432-I463 HydrophobicContact CB-CG1 4.29Å; I432-I463 HydrophobicContact CD1-CD1 4.38Å; I432-I463 HydrophobicContact CD1-CG1 4.36Å; I432-I463 WeakPolarHBondContact O-CA 3.13Å; A443-I463 HydrophobicContact CB-CG2 3.68Å; L444-I463 HydrophobicContact CB-CD1 4.28Å; L444-I463 HydrophobicContact CD2-CD1 4.41Å; I463-V468 HydrophobicContact CD1-CG2 3.48Å; I463-V468 VanDerWaalsContact CD1-CG2 3.48Å; I463-I488 HydrophobicContact CD1-CG2 4.04Å; I463-I488 HydrophobicContact CG1-CG2 4Å; I463-I488 PolarHBondContact N-O 3.13Å; I463-S490 PolarHBondContact O-N 3.26Å; I463-S490 PolarHBondContact O-OG 3.01Å
464	L	90.3	Very high	93.8	Very high	72 Å²	72	27.6 Å²	27.6	38%	0.377	13%	0.134	S	C	.	.			trans	-77.4	-37.9	-168.1	-69.7	-170.6	0	0	0	114.4	I432 E433 S462 S490	I432-L464 PolarHBondContact O-N 3.39Å; E433-L464 HydrophobicContact CG-CD1 4.45Å; S462-L464 WeakPolarHBondContact OG-CD2 3.1Å; L464-S490 VanDerWaalsContact O-CB 3.31Å; L464-S490 WeakPolarHBondContact O-CB 2.96Å
465	N	89.7	Confident	93.7	Very high	61 Å²	61	27.7 Å²	27.7	33%	0.326	14%	0.138	S	C	.	.	S	Bend	trans	-141.9	142.4	-179.2	179	37.7	0	0	0	108.7	E433 G434 A443 H493	E433-N465 PolarHBondContact O-N 3.07Å; G434-N465 PolarHBondContact O-ND2 3.07Å; A443-N465 WeakPolarHBondContact CB-O 3.35Å; N465-H493 PolarHBondContact OD1-CE1 2.84Å; N465-H493 PolarHBondContact OD1-NE2 3.14Å
466	G	89.2	Confident	93.7	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.01	14%	0.138	C	C	.	.	S	Bend	trans	93.5	153.5	177.5	0	0	0	0	0	114.9	S441 H493	S441-G466 WeakPolarHBondContact O-CA 3.35Å; G466-H493 PolarHBondContact N-CE1 3.5Å; G466-H493 VanDerWaalsContact N-CE1 3.25Å; G466-H493 PolarHBondContact N-ND1 3.15Å; G466-H493 PolarHBondContact N-NE2 2.91Å
467	D	94.2	Very high	93.8	Very high	27 Å²	27	27.7 Å²	27.7	14%	0.144	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	163.1	-177.7	-80.4	12.2	0	0	0	112.4	S441 Y442 A443 H493 S494	S441-D467 PolarHBondContact O-N 2.86Å; Y442-D467 CarbonylContact C-O 3.5Å; Y442-D467 VanDerWaalsContact CA-O 3.28Å; Y442-D467 WeakPolarHBondContact CA-O 3.49Å; Y442-D467 HydrophobicContact CD1-CB 3.76Å; Y442-D467 HydrophobicContact CE1-CB 4.1Å; A443-D467 PolarHBondContact N-O 2.96Å; D467-H493 WeakPolarHBondContact OD1-CA 3.43Å; D467-H493 WeakPolarHBondContact OD1-CB 3.49Å; D467-H493 IonicContact OD1-ND1 2.71Å; D467-S494 CarbonylContact C-O 3.59Å; D467-S494 VanDerWaalsContact CA-O 3.29Å; D467-S494 WeakPolarHBondContact CA-O 3.43Å; D467-S494 WeakPolarHBondContact CB-O 3.47Å; D467-S494 PolarHBondContact OD1-N 3.04Å; D467-S494 PolarHBondContact OD2-OG 2.03Å
468	V	95.4	Very high	93.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	128.3	173.5	176.4	0	0	0	0	110.2	L444 I463 I470 W484 I489 S494 S495 R496	L444-V468 HydrophobicContact CB-CG1 4.28Å; L444-V468 HydrophobicContact CB-CG2 4.19Å; L444-V468 HydrophobicContact CD2-CG1 4.07Å; L444-V468 HydrophobicContact CG-CG1 4.36Å; L444-V468 WeakPolarHBondContact O-CA 2.96Å; I463-V468 HydrophobicContact CD1-CG2 3.48Å; I463-V468 VanDerWaalsContact CD1-CG2 3.48Å; V468-I470 HydrophobicContact CG1-CD1 3.92Å; V468-I470 HydrophobicContact CG1-CG1 3.88Å; V468-W484 HydrophobicContact CG1-CE3 4.11Å; V468-W484 HydrophobicContact CG1-CZ3 4.06Å; V468-W484 HydrophobicContact CG2-CE3 4.32Å; V468-W484 HydrophobicContact CG2-CZ3 4.49Å; V468-I489 HydrophobicContact CB-CD1 3.94Å; V468-I489 HydrophobicContact CG2-CD1 3.45Å; V468-I489 VanDerWaalsContact CG2-CD1 3.45Å; V468-I489 HydrophobicContact CG2-CG1 3.83Å; V468-S494 PolarHBondContact N-O 2.88Å; V468-S495 CarbonylContact O-C 3.58Å; V468-S495 WeakPolarHBondContact O-CA 3.48Å; V468-R496 PolarHBondContact O-N 3.45Å
469	Y	95.5	Very high	93.8	Very high	27 Å²	27	27.7 Å²	27.7	11%	0.106	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	114.1	175.5	-167.5	-97.6	0	0	0	110.4	Y442 L444 Y445 I446 A471 R496 R498	Y442-Y469 HydrophobicContact CE1-CD2 4.13Å; Y442-Y469 HydrophobicContact CE1-CG 4.28Å; L444-Y469 PolarHBondContact O-N 3.41Å; Y445-Y469 CarbonylContact C-O 3.51Å; Y445-Y469 WeakPolarHBondContact CA-O 3.37Å; Y445-Y469 AromaticContact CD2-CD1 3.92Å; Y445-Y469 HydrophobicContact CD2-CD1 3.92Å; Y445-Y469 HydrophobicContact CD2-CG 4.07Å; Y445-Y469 HydrophobicContact CE1-CD1 4.29Å; Y445-Y469 AromaticContact CE2-CD1 3.56Å; Y445-Y469 HydrophobicContact CE2-CD1 3.56Å; Y445-Y469 HydrophobicContact CE2-CE1 4.25Å; Y445-Y469 AromaticContact CE2-CG 3.91Å; Y445-Y469 HydrophobicContact CE2-CG 3.91Å; Y445-Y469 HydrophobicContact CG-CD1 4.45Å; Y445-Y469 AromaticContact CZ-CD1 3.77Å; I446-Y469 PolarHBondContact N-O 3.46Å; Y469-A471 HydrophobicContact CD1-CB 4.41Å; Y469-A471 HydrophobicContact CE1-CB 3.73Å; Y469-R496 HydrophobicContact CD2-CB 3.75Å; Y469-R496 HydrophobicContact CE2-CB 4.18Å; Y469-R498 PolarHBondContact OH-NH2 2.87Å
470	I	95.7	Very high	93.7	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	97.9	178.6	-56	177.1	0	0	0	107.8	L444 I446 L455 V468 L476 I479 W484 R496 V497 R498 N500	L444-I470 HydrophobicContact CD2-CD1 4.45Å; I446-I470 HydrophobicContact CB-CG1 4.24Å; I446-I470 HydrophobicContact CB-CG2 4.27Å; I446-I470 HydrophobicContact CD1-CD1 4.28Å; I446-I470 HydrophobicContact CD1-CG1 4.28Å; I446-I470 HydrophobicContact CG1-CG1 4.41Å; I446-I470 WeakPolarHBondContact O-CA 3.47Å; L455-I470 HydrophobicContact CD1-CD1 4.27Å; V468-I470 HydrophobicContact CG1-CD1 3.92Å; V468-I470 HydrophobicContact CG1-CG1 3.88Å; I470-L476 HydrophobicContact CG2-CD2 3.84Å; I470-I479 HydrophobicContact CG2-CD1 3.86Å; I470-W484 HydrophobicContact CD1-CH2 3.67Å; I470-W484 HydrophobicContact CD1-CZ2 3.57Å; I470-W484 HydrophobicContact CD1-CZ3 4.5Å; I470-R496 PolarHBondContact N-O 2.79Å; I470-V497 HydrophobicContact CB-CG2 4.33Å; I470-V497 HydrophobicContact CD1-CG2 4.48Å; I470-V497 WeakPolarHBondContact O-CA 3.39Å; I470-R498 PolarHBondContact O-N 3.3Å; I470-R498 VanDerWaalsContact O-N 3.12Å; I470-N500 PolarHBondContact O-ND2 3.24Å
471	A	94.3	Very high	93.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	155.1	-175.4	0	0	0	0	0	115.2	I446 T447 Y469 N473 R498 N500	I446-A471 PolarHBondContact O-N 3.21Å; T447-A471 WeakPolarHBondContact CA-O 3.49Å; T447-A471 PolarHBondContact OG1-O 3.18Å; Y469-A471 HydrophobicContact CD1-CB 4.41Å; Y469-A471 HydrophobicContact CE1-CB 3.73Å; A471-N473 VanDerWaalsContact C-N 3.34Å; A471-N473 PolarHBondContact N-ND2 3.04Å; A471-N473 PolarHBondContact O-ND2 2.82Å; A471-R498 WeakPolarHBondContact CA-O 3.48Å; A471-R498 HydrophobicContact CB-CG 3.85Å; A471-R498 WeakPolarHBondContact CB-O 3.09Å; A471-N500 WeakPolarHBondContact CA-OD1 3.33Å
472	S	93.9	Very high	93.7	Very high	25 Å²	25	30.6 Å²	30.6	18%	0.175	15%	0.153	C	C	.	.			trans	63.5	35.6	179.4	-48.3	0	0	0	0	113.5	F450 S499 N500	F450-S472 VanDerWaalsContact CD1-O 3.28Å; F450-S472 WeakPolarHBondContact CD1-O 3.43Å; F450-S472 VanDerWaalsContact CE1-O 3.22Å; F450-S472 WeakPolarHBondContact CE1-O 3.4Å; S472-S499 WeakPolarHBondContact CA-O 3.08Å; S472-S499 PolarHBondContact N-O 2.85Å; S472-N500 PolarHBondContact N-OD1 3Å
473	N	94.7	Very high	93.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.149	C	C	.	.			trans	-109.5	92.9	174.4	-47.7	-69.9	0	0	0	107.7	I446 H448 S449 A471 D475 L476 N500 R501	I446-N473 PolarHBondContact O-ND2 3.05Å; H448-N473 PolarHBondContact N-OD1 2.81Å; S449-N473 WeakPolarHBondContact CB-OD1 3.38Å; S449-N473 PolarHBondContact N-OD1 2.83Å; A471-N473 VanDerWaalsContact C-N 3.34Å; A471-N473 PolarHBondContact N-ND2 3.04Å; A471-N473 PolarHBondContact O-ND2 2.82Å; N473-D475 PolarHBondContact O-N 3.49Å; N473-L476 HydrophobicContact CB-CB 3.79Å; N473-L476 HydrophobicContact CB-CD2 3.82Å; N473-L476 HydrophobicContact CB-CG 4.48Å; N473-L476 WeakPolarHBondContact O-CB 3.45Å; N473-L476 PolarHBondContact O-N 2.85Å; N473-N500 WeakPolarHBondContact CB-OD1 3.48Å; N473-N500 PolarHBondContact N-OD1 2.82Å; N473-N500 VanDerWaalsContact N-OD1 3.11Å; N473-N500 PolarHBondContact ND2-OD1 3.13Å; N473-N500 VanDerWaalsContact O-CA 3.27Å; N473-N500 WeakPolarHBondContact O-CA 3.21Å; N473-N500 WeakPolarHBondContact O-CB 3.41Å; N473-R501 PolarHBondContact O-N 3.48Å
474	Y	93	Very high	93.4	Very high	135 Å²	135	30.7 Å²	30.7	53%	0.529	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-22.4	-160.1	-60.2	-43.2	0	0	0	115.4	F450 R501	F450-Y474 AromaticContact CD1-CD2 3.32Å; F450-Y474 HydrophobicContact CD1-CD2 3.32Å; F450-Y474 AromaticContact CD1-CE2 3.53Å; F450-Y474 HydrophobicContact CD1-CE2 3.53Å; F450-Y474 HydrophobicContact CD1-CG 4.09Å; F450-Y474 AromaticContact CE1-CD2 3.69Å; F450-Y474 HydrophobicContact CE1-CD2 3.69Å; F450-Y474 AromaticContact CE1-CE2 3.33Å; F450-Y474 HydrophobicContact CE1-CE2 3.33Å; F450-Y474 AromaticContact CE1-CZ 3.99Å; F450-Y474 HydrophobicContact CG-CD2 4.12Å; F450-Y474 HydrophobicContact CG-CE2 4.49Å; F450-Y474 HydrophobicContact CZ-CE2 4.17Å; Y474-R501 VanDerWaalsContact O-CB 3.28Å; Y474-R501 WeakPolarHBondContact O-CB 3.13Å
475	D	94.9	Very high	93.1	Very high	56 Å²	56	29.9 Å²	29.9	30%	0.299	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-4	173.1	-74.9	-31.5	0	0	0	115	F450 M452 N473 C477 R501	F450-D475 WeakPolarHBondContact O-CB 3.4Å; F450-D475 PolarHBondContact O-N 3.19Å; M452-D475 CarbonylContact O-C 3.41Å; N473-D475 PolarHBondContact O-N 3.49Å; D475-C477 PolarHBondContact O-N 3.31Å; D475-R501 IonicContact OD1-CZ 2.8Å; D475-R501 IonicContact OD1-NH1 3.02Å; D475-R501 PolarHBondContact OD1-NH1 2.76Å
476	L	96.4	Very high	92.7	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.184	C	C	.	.			trans	-74.6	112.9	-169.6	-178.2	55.9	0	0	0	112.6	M452 L455 I470 N473 I479 N500 R501	M452-L476 HydrophobicContact CG-CD1 4.21Å; M452-L476 WeakPolarHBondContact O-CA 3.42Å; M452-L476 WeakPolarHBondContact O-CB 3.37Å; M452-L476 PolarHBondContact O-N 3.16Å; M452-L476 HydrophobicContact SD-CD1 4.34Å; M452-L476 HydrophobicContact SD-CD2 4.33Å; L455-L476 HydrophobicContact CD2-CD1 4.32Å; L455-L476 HydrophobicContact CD2-CD2 4.33Å; L455-L476 HydrophobicContact CG-CD1 4.37Å; I470-L476 HydrophobicContact CG2-CD2 3.84Å; N473-L476 HydrophobicContact CB-CB 3.79Å; N473-L476 HydrophobicContact CB-CD2 3.82Å; N473-L476 HydrophobicContact CB-CG 4.48Å; N473-L476 WeakPolarHBondContact O-CB 3.45Å; N473-L476 PolarHBondContact O-N 2.85Å; L476-I479 HydrophobicContact CD1-CG2 4.45Å; L476-I479 HydrophobicContact CD2-CD1 3.68Å; L476-I479 HydrophobicContact CG-CD1 3.94Å; L476-I479 HydrophobicContact CG-CG1 4.32Å; L476-N500 HydrophobicContact CB-CB 4.46Å; L476-R501 WeakPolarHBondContact O-CB 3.33Å
477	C	96.2	Very high	92.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.205	C	C	.	.			trans	-106.5	-170.1	176	-72.8	0	0	0	0	112.5	Q453 D475 I479 C506 K511	Q453-C477 PolarHBondContact O-N 3.25Å; D475-C477 PolarHBondContact O-N 3.31Å; C477-I479 PolarHBondContact O-N 2.81Å; C477-C506 VanDerWaalsContact CA-SG 3.51Å; C477-C506 HydrophobicContact CB-CB 3.85Å; C477-C506 WeakPolarHBondContact CB-SG 3.32Å; C477-C506 WeakPolarHBondContact SG-CB 3.13Å; C477-C506 CovalentContact SG-SG 2.04Å; C477-C506 PolarHBondContact SG-SG 2.91Å; C477-K511 HydrophobicContact CB-CB 3.97Å; C477-K511 HydrophobicContact CB-CD 4.32Å; C477-K511 VanDerWaalsContact SG-CD 3.56Å
478	Y	95.5	Very high	92.5	Very high	28 Å²	28	40.7 Å²	40.7	11%	0.11	20%	0.199	C	C	.	.	S	Bend	trans	69	-32.7	172	-50.2	-85.8	0	0	0	116.8	H480 K511 V512 C523 P526	Y478-H480 VanDerWaalsContact C-N 3.29Å; Y478-H480 PolarHBondContact O-N 2.69Å; Y478-K511 HydrophobicContact CE1-CB 4.48Å; Y478-K511 HydrophobicContact CE2-CB 4.19Å; Y478-K511 WeakPolarHBondContact OH-CA 3.09Å; Y478-V512 WeakPolarHBondContact CE1-O 3.32Å; Y478-C523 CarbonylContact C-O 3.59Å; Y478-P526 HydrophobicContact CE1-CB 4.27Å
479	I	93	Very high	92.4	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-76.6	-4.3	-170.9	64.1	165.3	0	0	0	116	L455 I470 L476 C477 N481 I482 V497	L455-I479 HydrophobicContact CD1-CG2 3.58Å; L455-I479 HydrophobicContact CG-CG2 3.71Å; I470-I479 HydrophobicContact CG2-CD1 3.86Å; L476-I479 HydrophobicContact CD1-CG2 4.45Å; L476-I479 HydrophobicContact CD2-CD1 3.68Å; L476-I479 HydrophobicContact CG-CD1 3.94Å; L476-I479 HydrophobicContact CG-CG1 4.32Å; C477-I479 PolarHBondContact O-N 2.81Å; I479-N481 PolarHBondContact O-N 3.2Å; I479-I482 PolarHBondContact O-N 3.01Å; I479-V497 HydrophobicContact CD1-CG1 3.65Å; I479-V497 HydrophobicContact CG1-CG1 4.35Å
480	H	91.2	Very high	92	Very high	73 Å²	73	42 Å²	42	34%	0.338	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-64	-37.5	-168.4	-54.6	84.3	0	0	0	113.9	Y478 R501 A503	Y478-H480 VanDerWaalsContact C-N 3.29Å; Y478-H480 PolarHBondContact O-N 2.69Å; H480-R501 PolarHBondContact NE2-O 3.2Å; H480-A503 HydrophobicContact CB-CB 4.46Å
481	N	91.7	Very high	91.5	Very high	95 Å²	95	49.4 Å²	49.4	51%	0.508	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-96.3	0.4	-176.5	-66.5	-3.4	0	0	0	113.5	I479 L519 Q521	I479-N481 PolarHBondContact O-N 3.2Å; N481-L519 PolarHBondContact ND2-O 2.86Å; N481-L519 VanDerWaalsContact ND2-O 3.08Å; N481-Q521 CarbonylContact O-C 3.58Å
482	I	92.9	Very high	90.9	Very high	9 Å²	9	53 Å²	53	5%	0.046	29%	0.293	C	S	.	.			trans	-62	127.4	-177.6	-66.3	-71	0	0	0	110.1	I479 W484 I488 Q521 W524 F532	I479-I482 PolarHBondContact O-N 3.01Å; I482-W484 HydrophobicContact CG2-CD2 3.92Å; I482-W484 HydrophobicContact CG2-CG 4.08Å; I482-W484 HydrophobicContact CG2-CZ2 4.04Å; I482-W484 PolarHBondContact O-N 3.04Å; I482-I488 HydrophobicContact CG2-CD1 3.55Å; I482-Q521 WeakPolarHBondContact CA-O 3.39Å; I482-W524 HydrophobicContact CD1-CD2 4.23Å; I482-W524 HydrophobicContact CD1-CE3 4.44Å; I482-W524 HydrophobicContact CD1-CZ2 4.3Å; I482-W524 HydrophobicContact CG2-CH2 3.97Å; I482-W524 HydrophobicContact CG2-CZ2 4.33Å; I482-W524 HydrophobicContact CG2-CZ3 4.45Å; I482-F532 HydrophobicContact CD1-CB 3.97Å; I482-F532 HydrophobicContact CD1-CD2 4Å; I482-F532 HydrophobicContact CD1-CG 4.25Å
483	P	92.5	Very high	90.7	Very high	23 Å²	23	54.7 Å²	54.7	15%	0.149	30%	0.298	C	S	.	.			trans	-80.6	53	-172.2	32.6	-37.8	0	0	0	113.4	G485 K486 R487 Q521 F532	P483-G485 PolarHBondContact O-N 2.9Å; P483-K486 HydrophobicContact CB-CB 4.38Å; P483-K486 PolarHBondContact O-N 2.81Å; P483-R487 HydrophobicContact CG-CB 4.17Å; P483-R487 HydrophobicContact CG-CG 4.39Å; P483-R487 PolarHBondContact O-N 3.25Å; P483-Q521 WeakPolarHBondContact CD-O 3.11Å; P483-F532 HydrophobicContact CG-CD1 3.98Å; P483-F532 HydrophobicContact CG-CE1 3.44Å; P483-F532 VanDerWaalsContact CG-CE1 3.44Å; P483-F532 HydrophobicContact CG-CE2 4.29Å; P483-F532 HydrophobicContact CG-CZ 3.63Å
484	W	91.6	Very high	90.5	Very high	11 Å²	11	57 Å²	57	4%	0.042	31%	0.314	C	S	.	.	I	π-helix	trans	-40.9	-63.8	-175.1	-68.1	101.1	0	0	0	113.8	L444 L455 L460 V468 I470 I482 K486 I488 I489 W524	L444-W484 HydrophobicContact CD2-CH2 4.14Å; L444-W484 HydrophobicContact CD2-CZ3 4.05Å; L455-W484 HydrophobicContact CD1-CH2 4.24Å; L455-W484 HydrophobicContact CD1-CZ2 4.21Å; L460-W484 HydrophobicContact CD2-CZ3 4.3Å; V468-W484 HydrophobicContact CG1-CE3 4.11Å; V468-W484 HydrophobicContact CG1-CZ3 4.06Å; V468-W484 HydrophobicContact CG2-CE3 4.32Å; V468-W484 HydrophobicContact CG2-CZ3 4.49Å; I470-W484 HydrophobicContact CD1-CH2 3.67Å; I470-W484 HydrophobicContact CD1-CZ2 3.57Å; I470-W484 HydrophobicContact CD1-CZ3 4.5Å; I482-W484 HydrophobicContact CG2-CD2 3.92Å; I482-W484 HydrophobicContact CG2-CG 4.08Å; I482-W484 HydrophobicContact CG2-CZ2 4.04Å; I482-W484 PolarHBondContact O-N 3.04Å; W484-K486 VanDerWaalsContact C-N 3.27Å; W484-K486 PolarHBondContact O-N 3.05Å; W484-I488 HydrophobicContact CD2-CD1 4.27Å; W484-I488 HydrophobicContact CE3-CD1 3.89Å; W484-I488 HydrophobicContact CE3-CG2 4.31Å; W484-I488 HydrophobicContact CZ3-CD1 4.2Å; W484-I488 HydrophobicContact CZ3-CG2 4.47Å; W484-I488 PolarHBondContact O-N 3.3Å; W484-I489 HydrophobicContact CB-CD1 3.99Å; W484-I489 WeakPolarHBondContact O-CB 3.5Å; W484-I489 WeakPolarHBondContact O-CG1 3.31Å; W484-I489 PolarHBondContact O-N 3.04Å; W484-W524 AromaticContact CH2-CH2 3.97Å; W484-W524 HydrophobicContact CH2-CH2 3.97Å; W484-W524 AromaticContact CH2-CZ3 3.82Å; W484-W524 HydrophobicContact CH2-CZ3 3.82Å; W484-W524 HydrophobicContact CZ2-CH2 4.33Å; W484-W524 HydrophobicContact CZ2-CZ3 4.03Å; W484-W524 HydrophobicContact CZ3-CH2 4.4Å
485	G	83.3	Confident	90.5	Very high	54 Å²	54	52.8 Å²	52.8	56%	0.557	31%	0.305	S	S	*	.	I	π-helix	trans	-77.9	3.7	-177.3	0	0	0	0	0	116.4	P483	P483-G485 PolarHBondContact O-N 2.9Å
486	K	81.7	Confident	90.4	Very high	191 Å²	191	55.7 Å²	55.7	83%	0.83	31%	0.311	S	S	*	.	I	π-helix	trans	-114.4	-35.2	179.5	-69.9	-177.5	-179.6	176.2	0	113.7	P483 W484	P483-K486 HydrophobicContact CB-CB 4.38Å; P483-K486 PolarHBondContact O-N 2.81Å; W484-K486 VanDerWaalsContact C-N 3.27Å; W484-K486 PolarHBondContact O-N 3.05Å
487	R	88.8	Confident	90.2	Very high	121 Å²	121	58 Å²	58	46%	0.457	33%	0.326	S	S	.	.	I	π-helix	trans	-128.5	-11.7	-172.2	-70.8	-171.7	65.8	175.3	3.8	115.2	R461 P483 F532 D533	R461-R487 VanDerWaalsContact O-O 3.14Å; P483-R487 HydrophobicContact CG-CB 4.17Å; P483-R487 HydrophobicContact CG-CG 4.39Å; P483-R487 PolarHBondContact O-N 3.25Å; R487-F532 HydrophobicContact CB-CE1 4.42Å; R487-F532 HydrophobicContact CB-CZ 3.96Å; R487-D533 IonicContact CZ-OD2 3.25Å; R487-D533 IonicContact NH1-OD2 3.85Å; R487-D533 PolarHBondContact NH1-OD2 2.03Å; R487-D533 IonicContact NH2-OD2 3.42Å
488	I	91.4	Very high	90	Very high	4 Å²	4	64.8 Å²	64.8	2%	0.021	35%	0.351	C	S	.	.	I	π-helix	trans	-113.3	-51.5	-176.6	-57.4	173.6	0	0	0	111	L460 S462 I463 I482 W484 W524 F532	L460-I488 HydrophobicContact CG-CG2 4.33Å; S462-I488 CarbonylContact C-O 3.52Å; S462-I488 WeakPolarHBondContact CA-O 3.4Å; I463-I488 HydrophobicContact CD1-CG2 4.04Å; I463-I488 HydrophobicContact CG1-CG2 4Å; I463-I488 PolarHBondContact N-O 3.13Å; I482-I488 HydrophobicContact CG2-CD1 3.55Å; W484-I488 HydrophobicContact CD2-CD1 4.27Å; W484-I488 HydrophobicContact CE3-CD1 3.89Å; W484-I488 HydrophobicContact CE3-CG2 4.31Å; W484-I488 HydrophobicContact CZ3-CD1 4.2Å; W484-I488 HydrophobicContact CZ3-CG2 4.47Å; W484-I488 PolarHBondContact O-N 3.3Å; I488-W524 HydrophobicContact CD1-CH2 3.78Å; I488-W524 HydrophobicContact CD1-CZ2 3.97Å; I488-F532 HydrophobicContact CD1-CE2 3.87Å; I488-F532 HydrophobicContact CG1-CE2 4Å; I488-F532 HydrophobicContact CG1-CZ 4.33Å
489	I	91.6	Very high	89.8	Confident	13 Å²	13	67.3 Å²	67.3	7%	0.067	37%	0.373	C	S	.	.	B	Isolated β-bridge	trans	-89.7	132.9	-173.3	-59.6	171.2	0	0	0	109.8	V468 W484 H493	V468-I489 HydrophobicContact CB-CD1 3.94Å; V468-I489 HydrophobicContact CG2-CD1 3.45Å; V468-I489 VanDerWaalsContact CG2-CD1 3.45Å; V468-I489 HydrophobicContact CG2-CG1 3.83Å; W484-I489 HydrophobicContact CB-CD1 3.99Å; W484-I489 WeakPolarHBondContact O-CB 3.5Å; W484-I489 WeakPolarHBondContact O-CG1 3.31Å; W484-I489 PolarHBondContact O-N 3.04Å; I489-H493 HydrophobicContact CG2-CB 3.43Å; I489-H493 VanDerWaalsContact CG2-CB 3.43Å
490	S	87.2	Confident	89.8	Confident	43 Å²	43	68.2 Å²	68.2	30%	0.301	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-65.8	152	175.6	-74.1	0	0	0	0	113.3	I463 L464 G492 H493	I463-S490 PolarHBondContact O-N 3.26Å; I463-S490 PolarHBondContact O-OG 3.01Å; L464-S490 VanDerWaalsContact O-CB 3.31Å; L464-S490 WeakPolarHBondContact O-CB 2.96Å; S490-G492 PolarHBondContact O-N 2.63Å; S490-H493 PolarHBondContact O-N 3.19Å
491	V	85.2	Confident	90	Very high	155 Å²	155	67.1 Å²	67.1	94%	0.939	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	126.8	-176.8	-177.8	0	0	0	0	110.9
492	G	82.6	Confident	90.1	Very high	75 Å²	75	69.5 Å²	69.5	77%	0.773	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	111.9	-16.3	-179	0	0	0	0	0	114.2	S490	S490-G492 PolarHBondContact O-N 2.63Å
493	H	89.4	Confident	90.1	Very high	60 Å²	60	70.8 Å²	70.8	28%	0.278	39%	0.389	S	S	.	.			trans	-107.6	163.4	178.4	-60	-66.3	0	0	0	112.5	N465 G466 D467 I489 S490	N465-H493 PolarHBondContact OD1-CE1 2.84Å; N465-H493 PolarHBondContact OD1-NE2 3.14Å; G466-H493 PolarHBondContact N-CE1 3.5Å; G466-H493 VanDerWaalsContact N-CE1 3.25Å; G466-H493 PolarHBondContact N-ND1 3.15Å; G466-H493 PolarHBondContact N-NE2 2.91Å; D467-H493 WeakPolarHBondContact OD1-CA 3.43Å; D467-H493 WeakPolarHBondContact OD1-CB 3.49Å; D467-H493 IonicContact OD1-ND1 2.71Å; I489-H493 HydrophobicContact CG2-CB 3.43Å; I489-H493 VanDerWaalsContact CG2-CB 3.43Å; S490-H493 PolarHBondContact O-N 3.19Å
494	S	91.3	Very high	90.2	Very high	48 Å²	48	73.9 Å²	73.9	34%	0.336	40%	0.404	S	S	.	.			trans	-128.5	160.3	-171.6	88.1	0	0	0	0	113.7	D467 V468	D467-S494 CarbonylContact C-O 3.59Å; D467-S494 VanDerWaalsContact CA-O 3.29Å; D467-S494 WeakPolarHBondContact CA-O 3.43Å; D467-S494 WeakPolarHBondContact CB-O 3.47Å; D467-S494 PolarHBondContact OD1-N 3.04Å; D467-S494 PolarHBondContact OD2-OG 2.03Å; V468-S494 PolarHBondContact N-O 2.88Å
495	S	92.2	Very high	90.4	Very high	48 Å²	48	75.8 Å²	75.8	34%	0.336	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	135.6	172	58.4	0	0	0	0	111.5	V468	V468-S495 CarbonylContact O-C 3.58Å; V468-S495 WeakPolarHBondContact O-CA 3.48Å
496	R	92.5	Very high	91	Very high	116 Å²	116	73.4 Å²	73.4	44%	0.438	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	80	175.5	-64.8	177.6	-177.2	171.6	0.7	109.5	Y442 V468 Y469 I470	Y442-R496 PolarHBondContact OH-NH1 3.09Å; Y442-R496 VanDerWaalsContact OH-NH1 3.11Å; V468-R496 PolarHBondContact O-N 3.45Å; Y469-R496 HydrophobicContact CD2-CB 3.75Å; Y469-R496 HydrophobicContact CE2-CB 4.18Å; I470-R496 PolarHBondContact N-O 2.79Å
497	V	92	Very high	91.6	Very high	50 Å²	50	70.5 Å²	70.5	30%	0.303	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	105.2	174.3	-173.6	0	0	0	0	108.3	I470 I479	I470-V497 HydrophobicContact CB-CG2 4.33Å; I470-V497 HydrophobicContact CD1-CG2 4.48Å; I470-V497 WeakPolarHBondContact O-CA 3.39Å; I479-V497 HydrophobicContact CD1-CG1 3.65Å; I479-V497 HydrophobicContact CG1-CG1 4.35Å
498	R	91.4	Very high	92	Very high	141 Å²	141	72 Å²	72	53%	0.532	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	159.5	-172.6	65.3	177.3	-177.5	173.1	1.5	112.4	Y469 I470 A471 N500	Y469-R498 PolarHBondContact OH-NH2 2.87Å; I470-R498 PolarHBondContact O-N 3.3Å; I470-R498 VanDerWaalsContact O-N 3.12Å; A471-R498 WeakPolarHBondContact CA-O 3.48Å; A471-R498 HydrophobicContact CB-CG 3.85Å; A471-R498 WeakPolarHBondContact CB-O 3.09Å; R498-N500 PolarHBondContact O-N 3.42Å
499	S	91.4	Very high	92.2	Very high	81 Å²	81	76.1 Å²	76.1	57%	0.566	42%	0.416	S	S	*	.	S	Bend	trans	55.7	25.2	175.8	-50	0	0	0	0	114.8	S472	S472-S499 WeakPolarHBondContact CA-O 3.08Å; S472-S499 PolarHBondContact N-O 2.85Å
500	N	93.9	Very high	92.3	Very high	21 Å²	21	78 Å²	78	11%	0.112	44%	0.439	C	S	.	.	S	Bend	trans	-92	-174.9	166.3	-53.1	-49.8	0	0	0	108.8	I470 A471 S472 N473 L476 R498 K502	I470-N500 PolarHBondContact O-ND2 3.24Å; A471-N500 WeakPolarHBondContact CA-OD1 3.33Å; S472-N500 PolarHBondContact N-OD1 3Å; N473-N500 WeakPolarHBondContact CB-OD1 3.48Å; N473-N500 PolarHBondContact N-OD1 2.82Å; N473-N500 VanDerWaalsContact N-OD1 3.11Å; N473-N500 PolarHBondContact ND2-OD1 3.13Å; N473-N500 VanDerWaalsContact O-CA 3.27Å; N473-N500 WeakPolarHBondContact O-CA 3.21Å; N473-N500 WeakPolarHBondContact O-CB 3.41Å; L476-N500 HydrophobicContact CB-CB 4.46Å; R498-N500 PolarHBondContact O-N 3.42Å; N500-K502 PolarHBondContact O-N 2.93Å
501	R	95	Very high	92.7	Very high	51 Å²	51	78.1 Å²	78.1	19%	0.192	43%	0.434	C	S	.	.			trans	-56.1	138.8	174.3	-154.7	162.3	-176.7	112.4	9.7	110.2	N473 Y474 D475 L476 H480 V505 E509	N473-R501 PolarHBondContact O-N 3.48Å; Y474-R501 VanDerWaalsContact O-CB 3.28Å; Y474-R501 WeakPolarHBondContact O-CB 3.13Å; D475-R501 IonicContact OD1-CZ 2.8Å; D475-R501 IonicContact OD1-NH1 3.02Å; D475-R501 PolarHBondContact OD1-NH1 2.76Å; L476-R501 WeakPolarHBondContact O-CB 3.33Å; H480-R501 PolarHBondContact NE2-O 3.2Å; R501-V505 HydrophobicContact CG-CG1 4.39Å; R501-E509 IonicContact CZ-OE1 3.14Å; R501-E509 IonicContact CZ-OE2 2.73Å; R501-E509 IonicContact NE-OE2 2.63Å; R501-E509 PolarHBondContact NE-OE2 3.41Å; R501-E509 IonicContact NH1-OE2 2.67Å; R501-E509 IonicContact NH2-OE1 3.37Å; R501-E509 PolarHBondContact NH2-OE1 3.02Å; R501-E509 IonicContact NH2-OE2 3.84Å; R501-E509 PolarHBondContact NH2-OE2 3.01Å
502	K	94.7	Very high	93.2	Very high	144 Å²	144	74.4 Å²	74.4	63%	0.626	41%	0.411	S	S	*	.			trans	-75.1	147.6	179.6	-60.6	-178.1	175.9	-180	0	110.7	N500 D504 V505 C506	N500-K502 PolarHBondContact O-N 2.93Å; K502-D504 WeakPolarHBondContact CB-OD1 3.44Å; K502-D504 PolarHBondContact O-N 2.7Å; K502-V505 HydrophobicContact CB-CG2 4.23Å; K502-V505 PolarHBondContact O-N 3.09Å; K502-C506 PolarHBondContact O-N 2.99Å; K502-C506 PolarHBondContact O-SG 3.43Å
503	A	92.5	Very high	93.8	Very high	37 Å²	37	71.8 Å²	71.8	31%	0.306	38%	0.381	S	S	.	.	H	α-helix	trans	-60.8	-44.1	-176.6	0	0	0	0	0	112.8	H480 V505 C506 E507	H480-A503 HydrophobicContact CB-CB 4.46Å; A503-V505 VanDerWaalsContact C-N 3.29Å; A503-V505 PolarHBondContact O-N 3.22Å; A503-C506 WeakPolarHBondContact O-CB 3.35Å; A503-C506 PolarHBondContact O-N 3.27Å; A503-C506 VanDerWaalsContact O-N 3.07Å; A503-E507 WeakPolarHBondContact O-CG 3.24Å; A503-E507 PolarHBondContact O-N 3.45Å
504	D	95.1	Very high	94.1	Very high	87 Å²	87	71 Å²	71	47%	0.465	38%	0.379	S	S	.	.	H	α-helix	trans	-56.1	-40.2	175.1	59.4	-23.2	0	0	0	112.6	K502 L508	K502-D504 WeakPolarHBondContact CB-OD1 3.44Å; K502-D504 PolarHBondContact O-N 2.7Å; D504-L508 WeakPolarHBondContact O-CB 3.34Å; D504-L508 VanDerWaalsContact O-CG 3.27Å; D504-L508 WeakPolarHBondContact O-CG 3.24Å; D504-L508 PolarHBondContact O-N 3.46Å; D504-L508 VanDerWaalsContact O-N 3.08Å
505	V	96.2	Very high	94.3	Very high	52 Å²	52	73.6 Å²	73.6	32%	0.315	40%	0.395	S	S	.	.	H	α-helix	trans	-71.3	-38.2	175.6	-176.8	0	0	0	0	111.7	R501 K502 A503 E509	R501-V505 HydrophobicContact CG-CG1 4.39Å; K502-V505 HydrophobicContact CB-CG2 4.23Å; K502-V505 PolarHBondContact O-N 3.09Å; A503-V505 VanDerWaalsContact C-N 3.29Å; A503-V505 PolarHBondContact O-N 3.22Å; V505-E509 WeakPolarHBondContact O-CG 3.2Å; V505-E509 PolarHBondContact O-N 3.15Å
506	C	96.1	Very high	94.4	Very high	4 Å²	4	71.7 Å²	71.7	3%	0.027	38%	0.381	C	S	.	.	H	α-helix	trans	-63.9	-42.7	174.6	-66.9	0	0	0	0	111.7	C477 K502 A503 E509 G510 K511	C477-C506 VanDerWaalsContact CA-SG 3.51Å; C477-C506 HydrophobicContact CB-CB 3.85Å; C477-C506 WeakPolarHBondContact CB-SG 3.32Å; C477-C506 WeakPolarHBondContact SG-CB 3.13Å; C477-C506 CovalentContact SG-SG 2.04Å; C477-C506 PolarHBondContact SG-SG 2.91Å; K502-C506 PolarHBondContact O-N 2.99Å; K502-C506 PolarHBondContact O-SG 3.43Å; A503-C506 WeakPolarHBondContact O-CB 3.35Å; A503-C506 PolarHBondContact O-N 3.27Å; A503-C506 VanDerWaalsContact O-N 3.07Å; C506-E509 PolarHBondContact O-N 2.03Å; C506-G510 PolarHBondContact O-N 3.17Å; C506-K511 HydrophobicContact CB-CB 4.25Å; C506-K511 WeakPolarHBondContact O-CB 3.45Å; C506-K511 PolarHBondContact O-N 2.8Å
507	E	94.3	Very high	94.5	Very high	129 Å²	129	66.2 Å²	66.2	60%	0.603	36%	0.361	S	S	*	.	H	α-helix	trans	-62	-45.6	176.5	-73.3	170.9	-164.7	0	0	112	A503 E509 G510 V512	A503-E507 WeakPolarHBondContact O-CG 3.24Å; A503-E507 PolarHBondContact O-N 3.45Å; E507-E509 PolarHBondContact O-N 2.84Å; E507-G510 PolarHBondContact O-N 2.95Å; E507-V512 HydrophobicContact CB-CG1 4.3Å; E507-V512 HydrophobicContact CG-CG1 3.92Å
508	L	95.6	Very high	94.6	Very high	153 Å²	153	65.6 Å²	65.6	80%	0.801	36%	0.356	S	S	*	.	H	α-helix	trans	-62.8	-25.3	176.1	-73.8	170	0	0	0	113.7	D504	D504-L508 WeakPolarHBondContact O-CB 3.34Å; D504-L508 VanDerWaalsContact O-CG 3.27Å; D504-L508 WeakPolarHBondContact O-CG 3.24Å; D504-L508 PolarHBondContact O-N 3.46Å; D504-L508 VanDerWaalsContact O-N 3.08Å
509	E	95.6	Very high	94.6	Very high	90 Å²	90	63.5 Å²	63.5	42%	0.421	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	1.3	174.4	-71.3	-171.5	152.3	0	0	113.9	R501 V505 C506 E507 K511	R501-E509 IonicContact CZ-OE1 3.14Å; R501-E509 IonicContact CZ-OE2 2.73Å; R501-E509 IonicContact NE-OE2 2.63Å; R501-E509 PolarHBondContact NE-OE2 3.41Å; R501-E509 IonicContact NH1-OE2 2.67Å; R501-E509 IonicContact NH2-OE1 3.37Å; R501-E509 PolarHBondContact NH2-OE1 3.02Å; R501-E509 IonicContact NH2-OE2 3.84Å; R501-E509 PolarHBondContact NH2-OE2 3.01Å; V505-E509 WeakPolarHBondContact O-CG 3.2Å; V505-E509 PolarHBondContact O-N 3.15Å; C506-E509 PolarHBondContact O-N 2.03Å; E507-E509 PolarHBondContact O-N 2.84Å; E509-K511 HydrophobicContact CB-CD 4.21Å; E509-K511 HydrophobicContact CB-CG 4.15Å; E509-K511 PolarHBondContact O-N 2.91Å; E509-K511 WeakPolarHBondContact OE2-CE 3.02Å; E509-K511 IonicContact OE2-NZ 2.66Å; E509-K511 PolarHBondContact OE2-NZ 3.25Å
510	G	94.6	Very high	94.6	Very high	53 Å²	53	64 Å²	64	55%	0.546	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	13.8	-174	0	0	0	0	0	114	C506 E507 V512	C506-G510 PolarHBondContact O-N 3.17Å; E507-G510 PolarHBondContact O-N 2.95Å; G510-V512 PolarHBondContact O-N 3.46Å
511	K	95.6	Very high	94.5	Very high	46 Å²	46	64.4 Å²	64.4	20%	0.2	36%	0.359	C	S	.	.			trans	-82.6	61	176.3	-66.2	175.2	-178.4	161.9	0	110.5	C477 Y478 C506 E509	C477-K511 HydrophobicContact CB-CB 3.97Å; C477-K511 HydrophobicContact CB-CD 4.32Å; C477-K511 VanDerWaalsContact SG-CD 3.56Å; Y478-K511 HydrophobicContact CE1-CB 4.48Å; Y478-K511 HydrophobicContact CE2-CB 4.19Å; Y478-K511 WeakPolarHBondContact OH-CA 3.09Å; C506-K511 HydrophobicContact CB-CB 4.25Å; C506-K511 WeakPolarHBondContact O-CB 3.45Å; C506-K511 PolarHBondContact O-N 2.8Å; E509-K511 HydrophobicContact CB-CD 4.21Å; E509-K511 HydrophobicContact CB-CG 4.15Å; E509-K511 PolarHBondContact O-N 2.91Å; E509-K511 WeakPolarHBondContact OE2-CE 3.02Å; E509-K511 IonicContact OE2-NZ 2.66Å; E509-K511 PolarHBondContact OE2-NZ 3.25Å
512	V	95.3	Very high	94.4	Very high	76 Å²	76	62 Å²	62	46%	0.461	35%	0.351	S	S	.	.			trans	-113.2	158.3	-177.4	-61	0	0	0	0	111.1	Y478 E507 G510	Y478-V512 WeakPolarHBondContact CE1-O 3.32Å; E507-V512 HydrophobicContact CB-CG1 4.3Å; E507-V512 HydrophobicContact CG-CG1 3.92Å; G510-V512 PolarHBondContact O-N 3.46Å
513	C	95.9	Very high	94.4	Very high	21 Å²	21	55.1 Å²	55.1	14%	0.142	32%	0.321	C	S	.	.			trans	-62.6	154.3	174.9	-59.6	0	0	0	0	111.9	C517 L519 C523	C513-C517 HydrophobicContact CB-CB 4.21Å; C513-L519 HydrophobicContact CB-CD2 3.8Å; C513-C523 WeakPolarHBondContact CA-SG 3.42Å; C513-C523 HydrophobicContact CB-CB 3.77Å; C513-C523 WeakPolarHBondContact CB-SG 3.28Å; C513-C523 WeakPolarHBondContact SG-CB 3.02Å; C513-C523 PolarHBondContact SG-N 2.73Å; C513-C523 CovalentContact SG-SG 2.03Å; C513-C523 PolarHBondContact SG-SG 2.67Å
514	D	95.5	Very high	94.6	Very high	44 Å²	44	53.4 Å²	53.4	24%	0.235	31%	0.306	C	S	.	.			trans	-59.9	143.1	174.6	-171.1	-85.8	0	0	0	111.4	S516 C517	D514-S516 PolarHBondContact O-N 2.94Å; D514-S516 VanDerWaalsContact O-N 3.13Å; D514-S516 VanDerWaalsContact OD1-CB 3.29Å; D514-S516 WeakPolarHBondContact OD1-CB 3.17Å; D514-S516 PolarHBondContact OD1-N 3.49Å; D514-S516 PolarHBondContact OD1-OG 3.4Å; D514-C517 VanDerWaalsContact O-CB 3.23Å; D514-C517 WeakPolarHBondContact O-CB 3.22Å; D514-C517 PolarHBondContact O-N 3.1Å; D514-C517 PolarHBondContact O-SG 2.04Å; D514-C517 VanDerWaalsContact O-SG 3.38Å
515	P	94.2	Very high	94.6	Very high	102 Å²	102	49.2 Å²	49.2	66%	0.662	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-24.8	179.2	-26.5	36	0	0	0	114.9	C517	P515-C517 VanDerWaalsContact C-N 3.26Å; P515-C517 PolarHBondContact O-N 2.74Å
516	S	94.5	Very high	94.6	Very high	8 Å²	8	49.3 Å²	49.3	6%	0.056	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-9.5	176.1	67.2	0	0	0	0	113.8	D514 P528 M535 C543	D514-S516 PolarHBondContact O-N 2.94Å; D514-S516 VanDerWaalsContact O-N 3.13Å; D514-S516 VanDerWaalsContact OD1-CB 3.29Å; D514-S516 WeakPolarHBondContact OD1-CB 3.17Å; D514-S516 PolarHBondContact OD1-N 3.49Å; D514-S516 PolarHBondContact OD1-OG 3.4Å; S516-P528 WeakPolarHBondContact OG-CB 3.28Å; S516-M535 WeakPolarHBondContact O-CB 3.37Å; S516-M535 PolarHBondContact O-N 3.49Å; S516-C543 WeakPolarHBondContact OG-CB 3.31Å
517	C	94.8	Very high	94.5	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-75.7	149.1	173.8	-57.5	0	0	0	0	112.2	C513 D514 P515 L519 C531	C513-C517 HydrophobicContact CB-CB 4.21Å; D514-C517 VanDerWaalsContact O-CB 3.23Å; D514-C517 WeakPolarHBondContact O-CB 3.22Å; D514-C517 PolarHBondContact O-N 3.1Å; D514-C517 PolarHBondContact O-SG 2.04Å; D514-C517 VanDerWaalsContact O-SG 3.38Å; P515-C517 VanDerWaalsContact C-N 3.26Å; P515-C517 PolarHBondContact O-N 2.74Å; C517-L519 VanDerWaalsContact C-N 3.34Å; C517-L519 HydrophobicContact CB-CD2 4.39Å; C517-L519 PolarHBondContact O-N 2.85Å; C517-C531 WeakPolarHBondContact CA-SG 3.44Å; C517-C531 HydrophobicContact CB-CB 3.65Å; C517-C531 WeakPolarHBondContact CB-SG 3.5Å; C517-C531 WeakPolarHBondContact SG-CA 3.39Å; C517-C531 WeakPolarHBondContact SG-CB 3.12Å; C517-C531 CovalentContact SG-SG 2.03Å; C517-C531 PolarHBondContact SG-SG 2.96Å
518	D	94.1	Very high	94.6	Very high	37 Å²	37	45.7 Å²	45.7	20%	0.198	28%	0.276	C	S	.	.			trans	-69.5	93.2	160.7	-177.5	-6.4	0	0	0	109.6	S520 Q521 G522 D533	D518-S520 PolarHBondContact O-N 3.22Å; D518-S520 WeakPolarHBondContact OD1-CB 3.39Å; D518-S520 PolarHBondContact OD1-N 3.31Å; D518-S520 VanDerWaalsContact OD1-N 3.11Å; D518-S520 PolarHBondContact OD1-OG 2.04Å; D518-S520 PolarHBondContact OD2-OG 3.2Å; D518-Q521 PolarHBondContact O-N 2.89Å; D518-Q521 PolarHBondContact OD2-NE2 2.67Å; D518-G522 PolarHBondContact O-N 2.82Å; D518-D533 HydrophobicContact CB-CB 4.16Å; D518-D533 PolarHBondContact N-O 2.79Å
519	L	91.7	Very high	94.5	Very high	97 Å²	97	42.4 Å²	42.4	51%	0.508	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-20.7	-177.6	-57.8	-178.8	0	0	0	113.5	N481 C513 C517 Q521	N481-L519 PolarHBondContact ND2-O 2.86Å; N481-L519 VanDerWaalsContact ND2-O 3.08Å; C513-L519 HydrophobicContact CB-CD2 3.8Å; C517-L519 VanDerWaalsContact C-N 3.34Å; C517-L519 HydrophobicContact CB-CD2 4.39Å; C517-L519 PolarHBondContact O-N 2.85Å; L519-Q521 PolarHBondContact O-N 2.89Å
520	S	91.5	Very high	94.5	Very high	92 Å²	92	39.2 Å²	39.2	64%	0.643	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-15	175.1	79.5	0	0	0	0	113.7	D518	D518-S520 PolarHBondContact O-N 3.22Å; D518-S520 WeakPolarHBondContact OD1-CB 3.39Å; D518-S520 PolarHBondContact OD1-N 3.31Å; D518-S520 VanDerWaalsContact OD1-N 3.11Å; D518-S520 PolarHBondContact OD1-OG 2.04Å; D518-S520 PolarHBondContact OD2-OG 3.2Å
521	Q	91.6	Very high	94.5	Very high	29 Å²	29	36.9 Å²	36.9	14%	0.136	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.9	-5.9	-179.7	-55.3	-166.8	71.1	0	0	113.7	N481 I482 P483 D518 L519 F532 D533	N481-Q521 CarbonylContact O-C 3.58Å; I482-Q521 WeakPolarHBondContact CA-O 3.39Å; P483-Q521 WeakPolarHBondContact CD-O 3.11Å; D518-Q521 PolarHBondContact O-N 2.89Å; D518-Q521 PolarHBondContact OD2-NE2 2.67Å; L519-Q521 PolarHBondContact O-N 2.89Å; Q521-F532 HydrophobicContact CB-CD1 3.79Å; Q521-D533 PolarHBondContact NE2-OD2 2.94Å
522	G	92.4	Very high	94.3	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.01	21%	0.208	C	C	.	.			trans	72.4	-165.1	175.4	0	0	0	0	0	115	D518 F532	D518-G522 PolarHBondContact O-N 2.82Å; G522-F532 VanDerWaalsContact O-CB 3.28Å; G522-F532 WeakPolarHBondContact O-CB 3.35Å; G522-F532 PolarHBondContact O-N 2.83Å; G522-F532 VanDerWaalsContact O-N 3.11Å
523	C	95.7	Very high	94.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-152.8	163.7	-173.4	59.3	0	0	0	0	111	Y478 C513 G525 M530	Y478-C523 CarbonylContact C-O 3.59Å; C513-C523 WeakPolarHBondContact CA-SG 3.42Å; C513-C523 HydrophobicContact CB-CB 3.77Å; C513-C523 WeakPolarHBondContact CB-SG 3.28Å; C513-C523 WeakPolarHBondContact SG-CB 3.02Å; C513-C523 PolarHBondContact SG-N 2.73Å; C513-C523 CovalentContact SG-SG 2.03Å; C513-C523 PolarHBondContact SG-SG 2.67Å; C523-G525 PolarHBondContact SG-O 3.16Å; C523-G525 VanDerWaalsContact SG-O 3.32Å; C523-M530 CarbonylContact C-O 3.55Å; C523-M530 WeakPolarHBondContact CA-O 3.07Å; C523-M530 WeakPolarHBondContact CB-O 3.03Å
524	W	95.7	Very high	94.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-90	-6.6	-177.8	-61.2	104.3	0	0	0	113.7	Y454 L455 G456 V458 L460 I482 W484 I488 M530 F532	Y454-W524 WeakPolarHBondContact CB-O 3.28Å; Y454-W524 WeakPolarHBondContact CD2-O 3.2Å; L455-W524 HydrophobicContact CB-CE3 4.15Å; L455-W524 HydrophobicContact CD1-CE3 4.1Å; L455-W524 HydrophobicContact CD1-CZ3 3.9Å; L455-W524 PolarHBondContact N-O 2.77Å; L455-W524 VanDerWaalsContact N-O 3.12Å; G456-W524 PolarHBondContact N-O 3.14Å; V458-W524 HydrophobicContact CG1-CB 4.13Å; V458-W524 HydrophobicContact CG1-CG 4.44Å; L460-W524 HydrophobicContact CB-CH2 4.32Å; L460-W524 HydrophobicContact CB-CZ2 4.31Å; L460-W524 HydrophobicContact CD2-CH2 4.21Å; I482-W524 HydrophobicContact CD1-CD2 4.23Å; I482-W524 HydrophobicContact CD1-CE3 4.44Å; I482-W524 HydrophobicContact CD1-CZ2 4.3Å; I482-W524 HydrophobicContact CG2-CH2 3.97Å; I482-W524 HydrophobicContact CG2-CZ2 4.33Å; I482-W524 HydrophobicContact CG2-CZ3 4.45Å; W484-W524 AromaticContact CH2-CH2 3.97Å; W484-W524 HydrophobicContact CH2-CH2 3.97Å; W484-W524 AromaticContact CH2-CZ3 3.82Å; W484-W524 HydrophobicContact CH2-CZ3 3.82Å; W484-W524 HydrophobicContact CZ2-CH2 4.33Å; W484-W524 HydrophobicContact CZ2-CZ3 4.03Å; W484-W524 HydrophobicContact CZ3-CH2 4.4Å; I488-W524 HydrophobicContact CD1-CH2 3.78Å; I488-W524 HydrophobicContact CD1-CZ2 3.97Å; W524-M530 PolarHBondContact N-O 2.63Å; W524-F532 AromaticContact CE2-CD2 3.97Å; W524-F532 AromaticContact CZ2-CD2 3.81Å; W524-F532 HydrophobicContact CZ2-CD2 3.81Å; W524-F532 HydrophobicContact CZ2-CE2 4.09Å; W524-F532 AromaticContact NE1-CD2 3.74Å
525	G	96.4	Very high	94	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	169.7	-171	-173.8	0	0	0	0	0	111.7	C523 M530	C523-G525 PolarHBondContact SG-O 3.16Å; C523-G525 VanDerWaalsContact SG-O 3.32Å; G525-M530 VanDerWaalsContact O-CB 3.26Å; G525-M530 WeakPolarHBondContact O-CB 3.37Å
526	P	95.1	Very high	93.9	Very high	54 Å²	54	33.2 Å²	33.2	35%	0.351	19%	0.186	S	C	.	.	S	Bend	trans	-75.3	151.7	175.4	32.1	-34.8	0	0	0	112.2	Y478 M530	Y478-P526 HydrophobicContact CE1-CB 4.27Å; P526-M530 WeakPolarHBondContact O-CG 3.03Å
527	G	95.2	Very high	93.7	Very high	19 Å²	19	35.2 Å²	35.2	20%	0.196	19%	0.193	C	C	.	.	S	Bend	trans	98	155.8	174.5	0	0	0	0	0	114.9	E529 M530	G527-E529 VanDerWaalsContact C-OE2 3.29Å; G527-E529 WeakPolarHBondContact CA-OE2 3.39Å; G527-E529 PolarHBondContact O-N 3.03Å; G527-M530 PolarHBondContact O-N 3.35Å; G527-M530 VanDerWaalsContact O-N 3.13Å
528	P	95.1	Very high	93.6	Very high	37 Å²	37	38 Å²	38	24%	0.24	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-16.2	-176	30.4	-38.1	0	0	0	113.6	S516 C531 S542 C543	S516-P528 WeakPolarHBondContact OG-CB 3.28Å; P528-C531 PolarHBondContact O-SG 2.74Å; P528-C531 VanDerWaalsContact O-SG 3.39Å; P528-S542 WeakPolarHBondContact CG-OG 3.31Å; P528-C543 HydrophobicContact CB-CB 4.47Å; P528-C543 PolarHBondContact O-N 2.97Å
529	E	94.4	Very high	93.5	Very high	85 Å²	85	37.1 Å²	37.1	40%	0.397	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-15	174.2	77.9	-75.8	-171.2	0	0	113.7	G527 N541	G527-E529 VanDerWaalsContact C-OE2 3.29Å; G527-E529 WeakPolarHBondContact CA-OE2 3.39Å; G527-E529 PolarHBondContact O-N 3.03Å; E529-N541 WeakPolarHBondContact CA-O 3.4Å
530	M	95.1	Very high	93.3	Very high	22 Å²	22	35 Å²	35	11%	0.108	20%	0.2	C	C	.	.	S	Bend	trans	-93.9	-3.6	-177.9	-65.9	-66.7	170.4	0	0	113.6	Y454 V458 C523 W524 G525 P526 G527 F532	Y454-M530 HydrophobicContact CE2-CE 4.41Å; V458-M530 HydrophobicContact CG1-SD 3.36Å; V458-M530 WeakPolarHBondContact CG1-SD 3.03Å; C523-M530 CarbonylContact C-O 3.55Å; C523-M530 WeakPolarHBondContact CA-O 3.07Å; C523-M530 WeakPolarHBondContact CB-O 3.03Å; W524-M530 PolarHBondContact N-O 2.63Å; G525-M530 VanDerWaalsContact O-CB 3.26Å; G525-M530 WeakPolarHBondContact O-CB 3.37Å; P526-M530 WeakPolarHBondContact O-CG 3.03Å; G527-M530 PolarHBondContact O-N 3.35Å; G527-M530 VanDerWaalsContact O-N 3.13Å; M530-F532 PolarHBondContact O-N 3.34Å
531	C	94.6	Very high	92.9	Very high	4 Å²	4	36.1 Å²	36.1	3%	0.027	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-61.7	134.2	-178.2	-56.2	0	0	0	0	112.7	C517 P528 R538 C543	C517-C531 WeakPolarHBondContact CA-SG 3.44Å; C517-C531 HydrophobicContact CB-CB 3.65Å; C517-C531 WeakPolarHBondContact CB-SG 3.5Å; C517-C531 WeakPolarHBondContact SG-CA 3.39Å; C517-C531 WeakPolarHBondContact SG-CB 3.12Å; C517-C531 CovalentContact SG-SG 2.03Å; C517-C531 PolarHBondContact SG-SG 2.96Å; P528-C531 PolarHBondContact O-SG 2.74Å; P528-C531 VanDerWaalsContact O-SG 3.39Å; C531-R538 PolarHBondContact O-NH2 2.83Å; C531-C543 WeakPolarHBondContact CB-SG 3.23Å; C531-C543 PolarHBondContact SG-SG 3.18Å
532	F	92.6	Very high	93	Very high	1 Å²	1	36.5 Å²	36.5	0%	0.004	21%	0.205	C	C	.	.	S	Bend	trans	-63.3	-48.1	172.8	-178.1	-91.2	0	0	0	110.5	I482 P483 R487 I488 Q521 G522 W524 M530 R538	I482-F532 HydrophobicContact CD1-CB 3.97Å; I482-F532 HydrophobicContact CD1-CD2 4Å; I482-F532 HydrophobicContact CD1-CG 4.25Å; P483-F532 HydrophobicContact CG-CD1 3.98Å; P483-F532 HydrophobicContact CG-CE1 3.44Å; P483-F532 VanDerWaalsContact CG-CE1 3.44Å; P483-F532 HydrophobicContact CG-CE2 4.29Å; P483-F532 HydrophobicContact CG-CZ 3.63Å; R487-F532 HydrophobicContact CB-CE1 4.42Å; R487-F532 HydrophobicContact CB-CZ 3.96Å; I488-F532 HydrophobicContact CD1-CE2 3.87Å; I488-F532 HydrophobicContact CG1-CE2 4Å; I488-F532 HydrophobicContact CG1-CZ 4.33Å; Q521-F532 HydrophobicContact CB-CD1 3.79Å; G522-F532 VanDerWaalsContact O-CB 3.28Å; G522-F532 WeakPolarHBondContact O-CB 3.35Å; G522-F532 PolarHBondContact O-N 2.83Å; G522-F532 VanDerWaalsContact O-N 3.11Å; W524-F532 AromaticContact CE2-CD2 3.97Å; W524-F532 AromaticContact CZ2-CD2 3.81Å; W524-F532 HydrophobicContact CZ2-CD2 3.81Å; W524-F532 HydrophobicContact CZ2-CE2 4.09Å; W524-F532 AromaticContact NE1-CD2 3.74Å; M530-F532 PolarHBondContact O-N 3.34Å; F532-R538 PolarHBondContact O-NH2 3.46Å
533	D	92	Very high	93.1	Very high	32 Å²	32	36.7 Å²	36.7	17%	0.171	21%	0.206	C	C	.	.	S	Bend	trans	-135.1	153.7	171.1	-139.8	-26.5	0	0	0	109.9	R487 D518 Q521	R487-D533 IonicContact CZ-OD2 3.25Å; R487-D533 IonicContact NH1-OD2 3.85Å; R487-D533 PolarHBondContact NH1-OD2 2.03Å; R487-D533 IonicContact NH2-OD2 3.42Å; D518-D533 HydrophobicContact CB-CB 4.16Å; D518-D533 PolarHBondContact N-O 2.79Å; Q521-D533 PolarHBondContact NE2-OD2 2.94Å
534	C	93.8	Very high	92.9	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.014	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-89.6	141.3	179.8	-61.1	0	0	0	0	111.2	W537 R538 C543 K558	C534-W537 WeakPolarHBondContact CB-O 3.45Å; C534-W537 PolarHBondContact SG-O 2.71Å; C534-R538 VanDerWaalsContact SG-CB 3.58Å; C534-C543 WeakPolarHBondContact CA-SG 3.5Å; C534-C543 HydrophobicContact CB-CB 3.72Å; C534-C543 WeakPolarHBondContact CB-SG 3.19Å; C534-C543 WeakPolarHBondContact SG-CA 3.02Å; C534-C543 WeakPolarHBondContact SG-CB 3.28Å; C534-C543 CovalentContact SG-SG 2.03Å; C534-C543 PolarHBondContact SG-SG 3.38Å; C534-K558 PolarHBondContact O-NZ 2.85Å
535	M	93.2	Very high	92.6	Very high	96 Å²	96	43.2 Å²	43.2	47%	0.473	24%	0.242	S	C	.	.	S	Bend	trans	-59.5	-51.9	174.1	179.2	165	172.6	0	0	110.3	S516 K558	S516-M535 WeakPolarHBondContact O-CB 3.37Å; S516-M535 PolarHBondContact O-N 3.49Å; M535-K558 WeakPolarHBondContact O-CE 3.49Å; M535-K558 PolarHBondContact O-NZ 3.36Å
536	H	91.7	Very high	92.1	Very high	82 Å²	82	50.2 Å²	50.2	38%	0.38	27%	0.274	S	S	.	.	S	Bend	trans	-108.1	-82.8	-179.9	-62.7	-53.6	0	0	0	112.6	D545 K558	H536-D545 IonicContact CD2-OD1 2.77Å; H536-K558 WeakPolarHBondContact O-CG 3.46Å
537	W	91.7	Very high	91.8	Very high	50 Å²	50	47.7 Å²	47.7	19%	0.189	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	154.2	-173.9	-51.3	87.8	0	0	0	112.5	C534 C543 V544 D545 C547 R554 K558 C560	C534-W537 WeakPolarHBondContact CB-O 3.45Å; C534-W537 PolarHBondContact SG-O 2.71Å; W537-C543 CarbonylContact O-C 3.28Å; W537-C543 VanDerWaalsContact O-CA 3.3Å; W537-C543 WeakPolarHBondContact O-CA 3.3Å; W537-V544 HydrophobicContact CB-CG2 3.95Å; W537-V544 PolarHBondContact N-O 3.37Å; W537-V544 VanDerWaalsContact N-O 3.13Å; W537-V544 PolarHBondContact O-N 2.82Å; W537-D545 VanDerWaalsContact CD1-O 3.31Å; W537-C547 HydrophobicContact CD2-CB 3.67Å; W537-C547 HydrophobicContact CE3-CB 3.99Å; W537-C547 HydrophobicContact CG-CB 3.92Å; W537-C547 HydrophobicContact CZ2-CB 4.45Å; W537-R554 HydrophobicContact CH2-CG 4.11Å; W537-R554 HydrophobicContact CZ3-CB 4.4Å; W537-R554 HydrophobicContact CZ3-CG 4.01Å; W537-K558 CarbonylContact C-O 3.47Å; W537-K558 WeakPolarHBondContact CA-O 3.38Å; W537-C560 WeakPolarHBondContact CB-SG 3.31Å
538	R	92.7	Very high	90.9	Very high	58 Å²	58	51.7 Å²	51.7	22%	0.219	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	122.7	171.1	-174.7	167	-82.2	152.2	-7	110.2	C531 F532 C534 G540 S542 K558 C560	C531-R538 PolarHBondContact O-NH2 2.83Å; F532-R538 PolarHBondContact O-NH2 3.46Å; C534-R538 VanDerWaalsContact SG-CB 3.58Å; R538-G540 VanDerWaalsContact CG-O 3.27Å; R538-G540 WeakPolarHBondContact CG-O 3.45Å; R538-S542 CarbonylContact C-O 3.56Å; R538-S542 WeakPolarHBondContact CA-O 3.28Å; R538-K558 PolarHBondContact N-O 2.7Å; R538-C560 PolarHBondContact O-N 2.71Å
539	L	91.3	Very high	90.2	Very high	19 Å²	19	52.6 Å²	52.6	10%	0.099	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	105.9	173.6	177.6	60.1	0	0	0	108.9	N541 S542 V544 L552 C560 Y562	L539-N541 PolarHBondContact O-N 3.3Å; L539-N541 VanDerWaalsContact O-N 3.15Å; L539-S542 PolarHBondContact N-O 3.25Å; L539-S542 PolarHBondContact O-N 2.9Å; L539-V544 HydrophobicContact CB-CG1 4Å; L539-V544 HydrophobicContact CB-CG2 3.99Å; L539-V544 HydrophobicContact CD2-CG1 4.23Å; L539-L552 HydrophobicContact CD1-CD2 3.64Å; L539-L552 HydrophobicContact CD2-CD1 3.98Å; L539-L552 HydrophobicContact CD2-CD2 3.79Å; L539-L552 HydrophobicContact CG-CD2 4.39Å; L539-C560 HydrophobicContact CB-CB 4.08Å; L539-C560 HydrophobicContact CD1-CB 3.91Å; L539-Y562 HydrophobicContact CD1-CD2 4.11Å; L539-Y562 HydrophobicContact CD1-CE1 4.47Å; L539-Y562 HydrophobicContact CD1-CE2 3.84Å; L539-Y562 HydrophobicContact CD2-CE1 4.2Å; L539-Y562 HydrophobicContact CD2-CE2 4.44Å; L539-Y562 HydrophobicContact CG-CE2 4.16Å
540	G	86.8	Confident	89.7	Confident	52 Å²	52	54 Å²	54	54%	0.536	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	-116.7	-168.1	0	0	0	0	0	110.6	R538	R538-G540 VanDerWaalsContact CG-O 3.27Å; R538-G540 WeakPolarHBondContact CG-O 3.45Å
541	N	85	Confident	89.3	Confident	115 Å²	115	54 Å²	54	62%	0.615	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-15.7	174.7	-70.3	-12.9	0	0	0	113.9	E529 L539	E529-N541 WeakPolarHBondContact CA-O 3.4Å; L539-N541 PolarHBondContact O-N 3.3Å; L539-N541 VanDerWaalsContact O-N 3.15Å
542	S	93.1	Very high	89.1	Confident	38 Å²	38	55.1 Å²	55.1	27%	0.266	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	144.1	-177.1	-168.4	0	0	0	0	111.6	P528 R538 L539	P528-S542 WeakPolarHBondContact CG-OG 3.31Å; R538-S542 CarbonylContact C-O 3.56Å; R538-S542 WeakPolarHBondContact CA-O 3.28Å; L539-S542 PolarHBondContact N-O 3.25Å; L539-S542 PolarHBondContact O-N 2.9Å
543	C	94.2	Very high	89	Confident	5 Å²	5	56.6 Å²	56.6	3%	0.034	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	147.7	161.2	-59.9	0	0	0	0	110.9	S516 P528 C531 C534 W537	S516-C543 WeakPolarHBondContact OG-CB 3.31Å; P528-C543 HydrophobicContact CB-CB 4.47Å; P528-C543 PolarHBondContact O-N 2.97Å; C531-C543 WeakPolarHBondContact CB-SG 3.23Å; C531-C543 PolarHBondContact SG-SG 3.18Å; C534-C543 WeakPolarHBondContact CA-SG 3.5Å; C534-C543 HydrophobicContact CB-CB 3.72Å; C534-C543 WeakPolarHBondContact CB-SG 3.19Å; C534-C543 WeakPolarHBondContact SG-CA 3.02Å; C534-C543 WeakPolarHBondContact SG-CB 3.28Å; C534-C543 CovalentContact SG-SG 2.03Å; C534-C543 PolarHBondContact SG-SG 3.38Å; W537-C543 CarbonylContact O-C 3.28Å; W537-C543 VanDerWaalsContact O-CA 3.3Å; W537-C543 WeakPolarHBondContact O-CA 3.3Å
544	V	91.8	Very high	88.9	Confident	35 Å²	35	61.8 Å²	61.8	21%	0.212	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	148.4	177.1	-61	0	0	0	0	110.5	W537 L539	W537-V544 HydrophobicContact CB-CG2 3.95Å; W537-V544 PolarHBondContact N-O 3.37Å; W537-V544 VanDerWaalsContact N-O 3.13Å; W537-V544 PolarHBondContact O-N 2.82Å; L539-V544 HydrophobicContact CB-CG1 4Å; L539-V544 HydrophobicContact CB-CG2 3.99Å; L539-V544 HydrophobicContact CD2-CG1 4.23Å
545	D	88.5	Confident	88.6	Confident	102 Å²	102	64 Å²	64	55%	0.545	35%	0.349	S	S	.	.	S	Bend	trans	-76.7	-38.3	-176.7	-62.8	-35.7	0	0	0	112.8	H536 W537	H536-D545 IonicContact CD2-OD1 2.77Å; W537-D545 VanDerWaalsContact CD1-O 3.31Å
546	E	87.1	Confident	88.2	Confident	146 Å²	146	61.4 Å²	61.4	68%	0.682	34%	0.342	S	S	*	.			trans	-126	144.7	-176.7	-65	-166.8	-174.3	0	0	113.1
547	C	87.2	Confident	88	Confident	2 Å²	2	63.6 Å²	63.6	1%	0.014	36%	0.364	C	S	.	.	S	Bend	trans	-113.5	23.3	-176.5	-150.9	0	0	0	0	112.8	W537 R554 C560	W537-C547 HydrophobicContact CD2-CB 3.67Å; W537-C547 HydrophobicContact CE3-CB 3.99Å; W537-C547 HydrophobicContact CG-CB 3.92Å; W537-C547 HydrophobicContact CZ2-CB 4.45Å; C547-R554 HydrophobicContact CB-CG 3.87Å; C547-C560 VanDerWaalsContact CA-SG 3.52Å; C547-C560 HydrophobicContact CB-CB 4.42Å; C547-C560 WeakPolarHBondContact CB-SG 3.27Å; C547-C560 WeakPolarHBondContact SG-CA 3.48Å; C547-C560 WeakPolarHBondContact SG-CB 3.1Å; C547-C560 CovalentContact SG-SG 2.02Å; C547-C560 PolarHBondContact SG-SG 2.95Å
548	N	78.3	Confident	87.8	Confident	102 Å²	102	66 Å²	66	55%	0.545	38%	0.376	S	S	.	.			trans	-126.5	7.2	-166.3	-71.6	19.5	0	0	0	113.2	R554	N548-R554 PolarHBondContact ND2-NH2 2.82Å; N548-R554 PolarHBondContact OD1-NE 3.3Å; N548-R554 VanDerWaalsContact OD1-NE 3.13Å; N548-R554 PolarHBondContact OD1-NH2 2.82Å
549	A	80.1	Confident	87.7	Confident	57 Å²	57	68 Å²	68	47%	0.471	39%	0.387	S	S	.	.	S	Bend	trans	-69.3	156.3	175.7	0	0	0	0	0	111.2	G551 L552	A549-G551 PolarHBondContact O-N 2.93Å; A549-L552 HydrophobicContact CB-CD1 4.19Å; A549-L552 PolarHBondContact O-N 2.71Å
550	D	83.3	Confident	87.7	Confident	114 Å²	114	67.3 Å²	67.3	61%	0.61	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	131.4	177	-73.6	-9.4	0	0	0	110.5	K569	D550-K569 IonicContact OD1-NZ 3.18Å; D550-K569 PolarHBondContact OD1-NZ 2.83Å; D550-K569 IonicContact OD2-NZ 3.71Å; D550-K569 PolarHBondContact OD2-NZ 3.5Å
551	G	86.5	Confident	87.9	Confident	22 Å²	22	66.1 Å²	66.1	23%	0.227	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.8	4.1	-171.2	0	0	0	0	0	116.4	A549 Y562 C563 T568	A549-G551 PolarHBondContact O-N 2.93Å; G551-Y562 CarbonylContact O-C 3.59Å; G551-Y562 WeakPolarHBondContact O-CA 3.42Å; G551-C563 VanDerWaalsContact C-SG 3.51Å; G551-C563 PolarHBondContact O-N 3.12Å; G551-T568 PolarHBondContact N-O 3.43Å
552	L	90.5	Very high	88.2	Confident	27 Å²	27	68.3 Å²	68.3	14%	0.141	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	150.6	174.6	-64.7	-179.1	0	0	0	113.4	L539 A549 A561 Y562	L539-L552 HydrophobicContact CD1-CD2 3.64Å; L539-L552 HydrophobicContact CD2-CD1 3.98Å; L539-L552 HydrophobicContact CD2-CD2 3.79Å; L539-L552 HydrophobicContact CG-CD2 4.39Å; A549-L552 HydrophobicContact CB-CD1 4.19Å; A549-L552 PolarHBondContact O-N 2.71Å; L552-A561 WeakPolarHBondContact CA-O 3.25Å; L552-Y562 HydrophobicContact CD2-CD1 3.51Å; L552-Y562 HydrophobicContact CD2-CE1 3.73Å; L552-Y562 HydrophobicContact CD2-CG 4.13Å
553	Y	90.2	Very high	88.2	Confident	32 Å²	32	67.2 Å²	67.2	13%	0.125	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	164.5	167.5	77.3	-78.4	0	0	0	112.5	A555 C560 A561 Y562 C570 A573	Y553-A555 HydrophobicContact CE2-CB 3.87Å; Y553-A555 PolarHBondContact O-N 2.82Å; Y553-C560 WeakPolarHBondContact O-CA 3.47Å; Y553-A561 HydrophobicContact CD1-CB 4.3Å; Y553-A561 WeakPolarHBondContact CD1-O 3.29Å; Y553-A561 HydrophobicContact CE1-CB 3.56Å; Y553-A561 PolarHBondContact N-O 2.56Å; Y553-A561 PolarHBondContact O-N 3.29Å; Y553-Y562 WeakPolarHBondContact CE1-O 3.35Å; Y553-C570 WeakPolarHBondContact CD1-SG 3.38Å; Y553-A573 WeakPolarHBondContact OH-CB 3.09Å; Y553-A573 PolarHBondContact OH-N 3.3Å
554	R	90.9	Very high	88.1	Confident	141 Å²	141	68.6 Å²	68.6	53%	0.532	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	101	177.8	-63.2	172.3	-172.4	-153	-3.5	109.7	W537 C547 N548	W537-R554 HydrophobicContact CH2-CG 4.11Å; W537-R554 HydrophobicContact CZ3-CB 4.4Å; W537-R554 HydrophobicContact CZ3-CG 4.01Å; C547-R554 HydrophobicContact CB-CG 3.87Å; N548-R554 PolarHBondContact ND2-NH2 2.82Å; N548-R554 PolarHBondContact OD1-NE 3.3Å; N548-R554 VanDerWaalsContact OD1-NE 3.13Å; N548-R554 PolarHBondContact OD1-NH2 2.82Å
555	A	86.9	Confident	88.2	Confident	50 Å²	50	71.9 Å²	71.9	41%	0.413	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	-38.6	-179.1	0	0	0	0	0	112.8	Y553 Q559 A561	Y553-A555 HydrophobicContact CE2-CB 3.87Å; Y553-A555 PolarHBondContact O-N 2.82Å; A555-Q559 PolarHBondContact N-O 3.09Å; A555-A561 HydrophobicContact CB-CB 3.88Å
556	A	85.4	Confident	88.4	Confident	40 Å²	40	67.8 Å²	67.8	33%	0.331	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	171.8	178.6	0	0	0	0	0	110.3	K558 Q559	A556-K558 PolarHBondContact O-N 2.82Å; A556-Q559 HydrophobicContact CB-CB 3.96Å; A556-Q559 PolarHBondContact N-O 2.88Å; A556-Q559 PolarHBondContact O-N 2.89Å
557	P	85.9	Confident	88.7	Confident	128 Å²	128	61.4 Å²	61.4	83%	0.831	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	125.7	170.5	-25.5	35.9	0	0	0	111.2	Q559	P557-Q559 PolarHBondContact O-N 3.4Å
558	K	87.4	Confident	88.8	Confident	101 Å²	101	63.8 Å²	63.8	44%	0.439	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	14.7	-171.8	-67.2	-162.9	147.5	-157.9	0	116.4	C534 M535 H536 W537 R538 A556	C534-K558 PolarHBondContact O-NZ 2.85Å; M535-K558 WeakPolarHBondContact O-CE 3.49Å; M535-K558 PolarHBondContact O-NZ 3.36Å; H536-K558 WeakPolarHBondContact O-CG 3.46Å; W537-K558 CarbonylContact C-O 3.47Å; W537-K558 WeakPolarHBondContact CA-O 3.38Å; R538-K558 PolarHBondContact N-O 2.7Å; A556-K558 PolarHBondContact O-N 2.82Å
559	Q	90.9	Very high	89.4	Confident	100 Å²	100	62.6 Å²	62.6	47%	0.467	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	129.8	-178.4	-156.9	162.1	-1.8	0	0	113.1	A555 A556 P557	A555-Q559 PolarHBondContact N-O 3.09Å; A556-Q559 HydrophobicContact CB-CB 3.96Å; A556-Q559 PolarHBondContact N-O 2.88Å; A556-Q559 PolarHBondContact O-N 2.89Å; P557-Q559 PolarHBondContact O-N 3.4Å
560	C	92.4	Very high	90	Very high	5 Å²	5	60.7 Å²	60.7	3%	0.034	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	149.3	174.6	-58.7	0	0	0	0	110.7	W537 R538 L539 C547 Y553	W537-C560 WeakPolarHBondContact CB-SG 3.31Å; R538-C560 PolarHBondContact O-N 2.71Å; L539-C560 HydrophobicContact CB-CB 4.08Å; L539-C560 HydrophobicContact CD1-CB 3.91Å; C547-C560 VanDerWaalsContact CA-SG 3.52Å; C547-C560 HydrophobicContact CB-CB 4.42Å; C547-C560 WeakPolarHBondContact CB-SG 3.27Å; C547-C560 WeakPolarHBondContact SG-CA 3.48Å; C547-C560 WeakPolarHBondContact SG-CB 3.1Å; C547-C560 CovalentContact SG-SG 2.02Å; C547-C560 PolarHBondContact SG-SG 2.95Å; Y553-C560 WeakPolarHBondContact O-CA 3.47Å
561	A	90.9	Very high	90.3	Very high	26 Å²	26	60 Å²	60	22%	0.215	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	160.4	168.6	0	0	0	0	0	110.3	L552 Y553 A555	L552-A561 WeakPolarHBondContact CA-O 3.25Å; Y553-A561 HydrophobicContact CD1-CB 4.3Å; Y553-A561 WeakPolarHBondContact CD1-O 3.29Å; Y553-A561 HydrophobicContact CE1-CB 3.56Å; Y553-A561 PolarHBondContact N-O 2.56Å; Y553-A561 PolarHBondContact O-N 3.29Å; A555-A561 HydrophobicContact CB-CB 3.88Å
562	Y	91.4	Very high	90.5	Very high	162 Å²	162	59.4 Å²	59.4	64%	0.635	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	142.3	173.1	-65.3	-77.6	0	0	0	110.5	L539 G551 L552 Y553	L539-Y562 HydrophobicContact CD1-CD2 4.11Å; L539-Y562 HydrophobicContact CD1-CE1 4.47Å; L539-Y562 HydrophobicContact CD1-CE2 3.84Å; L539-Y562 HydrophobicContact CD2-CE1 4.2Å; L539-Y562 HydrophobicContact CD2-CE2 4.44Å; L539-Y562 HydrophobicContact CG-CE2 4.16Å; G551-Y562 CarbonylContact O-C 3.59Å; G551-Y562 WeakPolarHBondContact O-CA 3.42Å; L552-Y562 HydrophobicContact CD2-CD1 3.51Å; L552-Y562 HydrophobicContact CD2-CE1 3.73Å; L552-Y562 HydrophobicContact CD2-CG 4.13Å; Y553-Y562 WeakPolarHBondContact CE1-O 3.35Å
563	C	92.4	Very high	90.4	Very high	14 Å²	14	59.2 Å²	59.2	10%	0.095	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-59.2	158.7	166.3	-64.4	0	0	0	0	111.4	G551 C567 C570	G551-C563 VanDerWaalsContact C-SG 3.51Å; G551-C563 PolarHBondContact O-N 3.12Å; C563-C567 HydrophobicContact CB-CB 3.83Å; C563-C570 WeakPolarHBondContact CA-SG 3.35Å; C563-C570 HydrophobicContact CB-CB 3.69Å; C563-C570 WeakPolarHBondContact CB-SG 3.45Å; C563-C570 WeakPolarHBondContact SG-CB 3.32Å; C563-C570 PolarHBondContact SG-N 3.27Å; C563-C570 VanDerWaalsContact SG-N 3.37Å; C563-C570 CovalentContact SG-SG 2.03Å; C563-C570 PolarHBondContact SG-SG 3.02Å
564	H	92.8	Very high	90.3	Very high	35 Å²	35	58.1 Å²	58.1	16%	0.162	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-56.8	148.9	169.6	-177.9	-97.5	0	0	0	111.1	E566 C567 E1009 N1010	H564-E566 VanDerWaalsContact CE1-CB 3.43Å; H564-E566 WeakPolarHBondContact CE1-CB 3.07Å; H564-E566 WeakPolarHBondContact CE1-CG 3.44Å; H564-E566 WeakPolarHBondContact ND1-CB 3.49Å; H564-E566 PolarHBondContact ND1-N 3.42Å; H564-E566 VanDerWaalsContact ND1-N 3.19Å; H564-E566 PolarHBondContact O-N 3.1Å; H564-C567 WeakPolarHBondContact O-CB 3.49Å; H564-C567 PolarHBondContact O-N 3.02Å; H564-E1009 IonicContact CD2-OE1 3.08Å; H564-E1009 PolarHBondContact CD2-OE1 2.83Å; H564-E1009 IonicContact CD2-OE2 3.91Å; H564-E1009 IonicContact NE2-OE1 3.2Å; H564-E1009 PolarHBondContact NE2-OE1 3.43Å; H564-N1010 PolarHBondContact NE2-ND2 3.24Å
565	V	93.3	Very high	90.2	Very high	104 Å²	104	52.1 Å²	52.1	63%	0.63	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.6	-171.7	-61.5	0	0	0	0	114.4	K582	V565-K582 WeakPolarHBondContact O-CD 3.06Å
566	E	93.8	Very high	90.5	Very high	15 Å²	15	57.6 Å²	57.6	7%	0.07	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-1.3	175	-63.2	-58.4	129.7	0	0	113.9	H564 K582 H583 C590 P592	H564-E566 VanDerWaalsContact CE1-CB 3.43Å; H564-E566 WeakPolarHBondContact CE1-CB 3.07Å; H564-E566 WeakPolarHBondContact CE1-CG 3.44Å; H564-E566 WeakPolarHBondContact ND1-CB 3.49Å; H564-E566 PolarHBondContact ND1-N 3.42Å; H564-E566 VanDerWaalsContact ND1-N 3.19Å; H564-E566 PolarHBondContact O-N 3.1Å; E566-K582 VanDerWaalsContact O-CB 3.32Å; E566-K582 WeakPolarHBondContact O-CB 3.05Å; E566-K582 PolarHBondContact O-N 2.77Å; E566-H583 IonicContact OE1-CE1 2.89Å; E566-H583 IonicContact OE1-ND1 2.65Å; E566-H583 IonicContact OE2-CE1 2.76Å; E566-H583 IonicContact OE2-CG 2.68Å; E566-H583 IonicContact OE2-ND1 3.95Å; E566-H583 PolarHBondContact OE2-ND1 2.76Å; E566-C590 HydrophobicContact CB-CB 3.75Å; E566-C590 WeakPolarHBondContact CB-O 3.5Å; E566-C590 WeakPolarHBondContact O-CB 3.34Å; E566-P592 WeakPolarHBondContact OE2-CA 3.48Å
567	C	92.4	Very high	90.8	Very high	12 Å²	12	59 Å²	59	8%	0.081	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	137.1	171.9	-53.7	0	0	0	0	111.5	C563 H564 C570 C578	C563-C567 HydrophobicContact CB-CB 3.83Å; H564-C567 WeakPolarHBondContact O-CB 3.49Å; H564-C567 PolarHBondContact O-N 3.02Å; C567-C570 HydrophobicContact CB-CB 4.19Å; C567-C578 WeakPolarHBondContact CA-SG 3.4Å; C567-C578 HydrophobicContact CB-CB 3.71Å; C567-C578 WeakPolarHBondContact CB-SG 3.48Å; C567-C578 WeakPolarHBondContact SG-CA 3.13Å; C567-C578 WeakPolarHBondContact SG-CB 3.31Å; C567-C578 CovalentContact SG-SG 2.03Å; C567-C578 PolarHBondContact SG-SG 2.81Å
568	T	89.6	Confident	91	Very high	52 Å²	52	53.9 Å²	53.9	32%	0.319	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	-38.8	159.2	-51.7	0	0	0	0	110.5	G551 E580	G551-T568 PolarHBondContact N-O 3.43Å; T568-E580 PolarHBondContact N-O 3.08Å
569	K	90.3	Very high	91.1	Very high	78 Å²	78	53.6 Å²	53.6	34%	0.339	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	150.9	177.7	-60.1	176.5	-162.3	-103.6	0	108.7	D550 C578 T579	D550-K569 IonicContact OD1-NZ 3.18Å; D550-K569 PolarHBondContact OD1-NZ 2.83Å; D550-K569 IonicContact OD2-NZ 3.71Å; D550-K569 PolarHBondContact OD2-NZ 3.5Å; K569-C578 CarbonylContact O-C 3.56Å; K569-C578 WeakPolarHBondContact O-CA 3.4Å; K569-T579 VanDerWaalsContact CB-OG1 3.31Å; K569-T579 WeakPolarHBondContact CB-OG1 3.05Å; K569-T579 PolarHBondContact O-N 2.58Å; K569-T579 PolarHBondContact O-OG1 2.85Å
570	C	92.2	Very high	91	Very high	16 Å²	16	53.4 Å²	53.4	11%	0.108	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	167.9	-176.7	71.3	0	0	0	0	113.2	Y553 C563 C567 N577	Y553-C570 WeakPolarHBondContact CD1-SG 3.38Å; C563-C570 WeakPolarHBondContact CA-SG 3.35Å; C563-C570 HydrophobicContact CB-CB 3.69Å; C563-C570 WeakPolarHBondContact CB-SG 3.45Å; C563-C570 WeakPolarHBondContact SG-CB 3.32Å; C563-C570 PolarHBondContact SG-N 3.27Å; C563-C570 VanDerWaalsContact SG-N 3.37Å; C563-C570 CovalentContact SG-SG 2.03Å; C563-C570 PolarHBondContact SG-SG 3.02Å; C567-C570 HydrophobicContact CB-CB 4.19Å; C570-N577 CarbonylContact C-O 3.56Å; C570-N577 WeakPolarHBondContact CA-O 3.37Å; C570-N577 VanDerWaalsContact CB-O 3.24Å; C570-N577 WeakPolarHBondContact CB-O 3.17Å
571	T	90.9	Very high	90.9	Very high	101 Å²	101	54.5 Å²	54.5	62%	0.62	29%	0.291	S	S	*	.	S	Bend	trans	-113.3	-1.3	171.8	51	0	0	0	0	113.6	N577 T579	T571-N577 PolarHBondContact N-O 2.82Å; T571-N577 PolarHBondContact OG1-O 3.09Å; T571-T579 HydrophobicContact CG2-CG2 3.96Å
572	G	89.5	Confident	90.8	Very high	9 Å²	9	58.5 Å²	58.5	9%	0.093	30%	0.303	C	S	.	.	S	Bend	trans	-174.4	179.6	-171.7	0	0	0	0	0	112.5
573	A	88.3	Confident	90.7	Very high	22 Å²	22	54.7 Å²	54.7	18%	0.182	29%	0.291	C	S	.	.	S	Bend	trans	-67.4	161.5	171.6	0	0	0	0	0	112.1	Y553 N577	Y553-A573 WeakPolarHBondContact OH-CB 3.09Å; Y553-A573 PolarHBondContact OH-N 3.3Å; A573-N577 WeakPolarHBondContact O-CB 3.29Å; A573-N577 PolarHBondContact O-ND2 2.04Å
574	G	88	Confident	90.6	Very high	9 Å²	9	54.6 Å²	54.6	9%	0.093	29%	0.29	C	S	.	.	S	Bend	trans	79.5	156	174.5	0	0	0	0	0	116.3	R576 N577 E1009	G574-R576 PolarHBondContact O-N 2.9Å; G574-R576 VanDerWaalsContact O-N 3.13Å; G574-N577 PolarHBondContact O-N 2.85Å; G574-E1009 VanDerWaalsContact CA-CD 3.44Å; G574-E1009 WeakPolarHBondContact CA-OE2 3.19Å; G574-E1009 PolarHBondContact N-OE2 3.23Å
575	P	90.6	Very high	90.4	Very high	16 Å²	16	53.5 Å²	53.5	10%	0.104	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-66.4	-14.1	-178	27.2	-36.3	0	0	0	113.9	C578 E589 C590 E1009	P575-C578 PolarHBondContact O-SG 2.99Å; P575-E589 HydrophobicContact CB-CB 4.1Å; P575-E589 HydrophobicContact CG-CB 4.2Å; P575-E589 WeakPolarHBondContact O-CA 3.39Å; P575-C590 WeakPolarHBondContact CB-O 3.33Å; P575-C590 PolarHBondContact O-N 2.91Å; P575-E1009 WeakPolarHBondContact CD-OE1 3.39Å
576	R	91.6	Very high	90.1	Very high	164 Å²	164	50.2 Å²	50.2	62%	0.619	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-77.9	-25.8	175.7	-75.8	-174.3	-171.9	-145.1	-5.1	114.4	G574 C578 G588 E589	G574-R576 PolarHBondContact O-N 2.9Å; G574-R576 VanDerWaalsContact O-N 3.13Å; R576-C578 VanDerWaalsContact C-N 3.3Å; R576-G588 WeakPolarHBondContact CA-O 3.02Å; R576-E589 HydrophobicContact CG-CB 4.22Å; R576-E589 HydrophobicContact CG-CG 3.69Å; R576-E589 IonicContact CZ-OE1 2.68Å; R576-E589 IonicContact NE-OE1 3.77Å; R576-E589 PolarHBondContact NE-OE1 2.86Å; R576-E589 IonicContact NH2-OE1 3.75Å; R576-E589 PolarHBondContact NH2-OE1 2.77Å
577	N	91.9	Very high	89.7	Confident	69 Å²	69	56.3 Å²	56.3	37%	0.369	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-93	11.6	-176.5	-73.3	-59.6	0	0	0	112.6	C570 T571 A573 G574	C570-N577 CarbonylContact C-O 3.56Å; C570-N577 WeakPolarHBondContact CA-O 3.37Å; C570-N577 VanDerWaalsContact CB-O 3.24Å; C570-N577 WeakPolarHBondContact CB-O 3.17Å; T571-N577 PolarHBondContact N-O 2.82Å; T571-N577 PolarHBondContact OG1-O 3.09Å; A573-N577 WeakPolarHBondContact O-CB 3.29Å; A573-N577 PolarHBondContact O-ND2 2.04Å; G574-N577 PolarHBondContact O-N 2.85Å
578	C	90.5	Very high	89.3	Confident	22 Å²	22	58.5 Å²	58.5	15%	0.149	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	134.1	170.3	-51.3	0	0	0	0	110.7	C567 K569 P575 R576 C590	C567-C578 WeakPolarHBondContact CA-SG 3.4Å; C567-C578 HydrophobicContact CB-CB 3.71Å; C567-C578 WeakPolarHBondContact CB-SG 3.48Å; C567-C578 WeakPolarHBondContact SG-CA 3.13Å; C567-C578 WeakPolarHBondContact SG-CB 3.31Å; C567-C578 CovalentContact SG-SG 2.03Å; C567-C578 PolarHBondContact SG-SG 2.81Å; K569-C578 CarbonylContact O-C 3.56Å; K569-C578 WeakPolarHBondContact O-CA 3.4Å; P575-C578 PolarHBondContact O-SG 2.99Å; R576-C578 VanDerWaalsContact C-N 3.3Å; C578-C590 HydrophobicContact CB-CB 4.44Å; C578-C590 WeakPolarHBondContact CB-SG 3.44Å; C578-C590 PolarHBondContact SG-SG 3.26Å
579	T	89.4	Confident	89.4	Confident	95 Å²	95	59 Å²	59	58%	0.583	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	-19.7	167.1	50.1	0	0	0	0	112.1	K569 T571	K569-T579 VanDerWaalsContact CB-OG1 3.31Å; K569-T579 WeakPolarHBondContact CB-OG1 3.05Å; K569-T579 PolarHBondContact O-N 2.58Å; K569-T579 PolarHBondContact O-OG1 2.85Å; T571-T579 HydrophobicContact CG2-CG2 3.96Å
580	E	89	Confident	89.5	Confident	96 Å²	96	55.4 Å²	55.4	45%	0.449	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	123.8	175.8	-177.8	175.1	-166	0	0	109.8	T568	T568-E580 PolarHBondContact N-O 3.08Å
581	C	90	Very high	89.4	Confident	28 Å²	28	55.8 Å²	55.8	19%	0.189	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	134.9	176.5	-61.2	0	0	0	0	111.7	C590	C581-C590 WeakPolarHBondContact CA-SG 3.36Å; C581-C590 HydrophobicContact CB-CB 3.67Å; C581-C590 WeakPolarHBondContact CB-SG 3.49Å; C581-C590 VanDerWaalsContact SG-CA 3.56Å; C581-C590 WeakPolarHBondContact SG-CB 3.49Å; C581-C590 CovalentContact SG-SG 2.03Å; C581-C590 PolarHBondContact SG-SG 3.16Å
582	K	90.1	Very high	89.4	Confident	110 Å²	110	54.8 Å²	54.8	48%	0.478	31%	0.305	S	S	.	.	S	Bend	trans	-62.7	-47.7	172.6	-172.6	177.8	179.1	-178.5	0	111.7	V565 E566 R606	V565-K582 WeakPolarHBondContact O-CD 3.06Å; E566-K582 VanDerWaalsContact O-CB 3.32Å; E566-K582 WeakPolarHBondContact O-CB 3.05Å; E566-K582 PolarHBondContact O-N 2.77Å; K582-R606 PolarHBondContact O-NH1 3.07Å; K582-R606 VanDerWaalsContact O-NH1 3.16Å
583	H	88.9	Confident	89.4	Confident	81 Å²	81	58.2 Å²	58.2	38%	0.375	33%	0.327	S	S	.	.	S	Bend	trans	-109.2	-89.5	179.5	-56.2	113.4	0	0	0	112.3	E566	E566-H583 IonicContact OE1-CE1 2.89Å; E566-H583 IonicContact OE1-ND1 2.65Å; E566-H583 IonicContact OE2-CE1 2.76Å; E566-H583 IonicContact OE2-CG 2.68Å; E566-H583 IonicContact OE2-ND1 3.95Å; E566-H583 PolarHBondContact OE2-ND1 2.76Å
584	V	88.9	Confident	89.3	Confident	13 Å²	13	58.6 Å²	58.6	8%	0.079	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	155.1	-177.8	-67.1	0	0	0	0	112	C590 V591 F600 R606	V584-C590 CarbonylContact O-C 3.52Å; V584-C590 WeakPolarHBondContact O-CA 3.07Å; V584-V591 HydrophobicContact CG2-CG2 3.88Å; V584-V591 VanDerWaalsContact CG2-O 3.31Å; V584-V591 WeakPolarHBondContact CG2-O 3.44Å; V584-V591 PolarHBondContact N-O 3.25Å; V584-V591 PolarHBondContact O-N 3.39Å; V584-V591 VanDerWaalsContact O-O 3.12Å; V584-F600 HydrophobicContact CG1-CB 4.44Å; V584-F600 HydrophobicContact CG1-CD1 3.85Å; V584-F600 HydrophobicContact CG1-CD2 4.37Å; V584-F600 HydrophobicContact CG1-CE1 4.17Å; V584-F600 HydrophobicContact CG1-CG 3.95Å; V584-R606 CarbonylContact C-O 3.56Å; V584-R606 WeakPolarHBondContact CA-O 3.48Å
585	G	88.8	Confident	89.1	Confident	11 Å²	11	61 Å²	61	11%	0.113	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	137.1	175.3	0	0	0	0	0	112.9	E589 R606 R607 C608	G585-E589 CarbonylContact C-O 3.56Å; G585-E589 VanDerWaalsContact CA-O 3.25Å; G585-E589 WeakPolarHBondContact CA-O 3.2Å; G585-R606 PolarHBondContact N-O 3.24Å; G585-R607 CarbonylContact O-C 3.44Å; G585-R607 VanDerWaalsContact O-CA 3.28Å; G585-R607 WeakPolarHBondContact O-CA 3.26Å; G585-C608 PolarHBondContact O-N 2.83Å
586	L	87.9	Confident	88.6	Confident	35 Å²	35	65.3 Å²	65.3	18%	0.183	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	120.4	173.5	175.6	73.2	0	0	0	108.6	G588 E589 V591 P595 T598 C608	L586-G588 PolarHBondContact O-N 2.93Å; L586-E589 PolarHBondContact N-O 2.04Å; L586-E589 PolarHBondContact O-N 2.77Å; L586-V591 HydrophobicContact CB-CG1 4.47Å; L586-V591 HydrophobicContact CB-CG2 4.07Å; L586-P595 HydrophobicContact CD2-CG 3.61Å; L586-T598 HydrophobicContact CD1-CG2 4.18Å; L586-C608 HydrophobicContact CB-CB 4.22Å; L586-C608 HydrophobicContact CD1-CB 3.68Å
587	D	84.8	Confident	88.1	Confident	144 Å²	144	62.8 Å²	62.8	77%	0.77	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	28.8	174.8	-63	-31.3	0	0	0	116
588	G	85.1	Confident	87.7	Confident	58 Å²	58	60.5 Å²	60.5	60%	0.598	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	98	-3.2	180	0	0	0	0	0	115.2	R576 L586	R576-G588 WeakPolarHBondContact CA-O 3.02Å; L586-G588 PolarHBondContact O-N 2.93Å
589	E	90.3	Very high	87.1	Confident	61 Å²	61	59.9 Å²	59.9	29%	0.285	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	144.3	172.8	-30.5	-161	150.7	0	0	111	P575 R576 G585 L586	P575-E589 HydrophobicContact CB-CB 4.1Å; P575-E589 HydrophobicContact CG-CB 4.2Å; P575-E589 WeakPolarHBondContact O-CA 3.39Å; R576-E589 HydrophobicContact CG-CB 4.22Å; R576-E589 HydrophobicContact CG-CG 3.69Å; R576-E589 IonicContact CZ-OE1 2.68Å; R576-E589 IonicContact NE-OE1 3.77Å; R576-E589 PolarHBondContact NE-OE1 2.86Å; R576-E589 IonicContact NH2-OE1 3.75Å; R576-E589 PolarHBondContact NH2-OE1 2.77Å; G585-E589 CarbonylContact C-O 3.56Å; G585-E589 VanDerWaalsContact CA-O 3.25Å; G585-E589 WeakPolarHBondContact CA-O 3.2Å; L586-E589 PolarHBondContact N-O 2.04Å; L586-E589 PolarHBondContact O-N 2.77Å
590	C	92.1	Very high	86.2	Confident	4 Å²	4	58.9 Å²	58.9	3%	0.027	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	129	167.3	-58	0	0	0	0	111.1	E566 P575 C578 C581 V584	E566-C590 HydrophobicContact CB-CB 3.75Å; E566-C590 WeakPolarHBondContact CB-O 3.5Å; E566-C590 WeakPolarHBondContact O-CB 3.34Å; P575-C590 WeakPolarHBondContact CB-O 3.33Å; P575-C590 PolarHBondContact O-N 2.91Å; C578-C590 HydrophobicContact CB-CB 4.44Å; C578-C590 WeakPolarHBondContact CB-SG 3.44Å; C578-C590 PolarHBondContact SG-SG 3.26Å; C581-C590 WeakPolarHBondContact CA-SG 3.36Å; C581-C590 HydrophobicContact CB-CB 3.67Å; C581-C590 WeakPolarHBondContact CB-SG 3.49Å; C581-C590 VanDerWaalsContact SG-CA 3.56Å; C581-C590 WeakPolarHBondContact SG-CB 3.49Å; C581-C590 CovalentContact SG-SG 2.03Å; C581-C590 PolarHBondContact SG-SG 3.16Å; V584-C590 CarbonylContact O-C 3.52Å; V584-C590 WeakPolarHBondContact O-CA 3.07Å
591	V	90.9	Very high	85.1	Confident	23 Å²	23	60 Å²	60	14%	0.139	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	149.6	-176.9	-59.6	0	0	0	0	110.9	V584 L586 S593	V584-V591 HydrophobicContact CG2-CG2 3.88Å; V584-V591 VanDerWaalsContact CG2-O 3.31Å; V584-V591 WeakPolarHBondContact CG2-O 3.44Å; V584-V591 PolarHBondContact N-O 3.25Å; V584-V591 PolarHBondContact O-N 3.39Å; V584-V591 VanDerWaalsContact O-O 3.12Å; L586-V591 HydrophobicContact CB-CG1 4.47Å; L586-V591 HydrophobicContact CB-CG2 4.07Å; V591-S593 VanDerWaalsContact C-N 3.28Å; V591-S593 PolarHBondContact O-N 3.18Å
592	P	91	Very high	83.9	Confident	80 Å²	80	62.1 Å²	62.1	52%	0.519	34%	0.336	S	S	.	.	S	Bend	trans	-67.9	-27.4	-177.1	25.9	-35	0	0	0	113.3	E566	E566-P592 WeakPolarHBondContact OE2-CA 3.48Å
593	S	88.5	Confident	82.6	Confident	82 Å²	82	62.2 Å²	62.2	57%	0.573	35%	0.346	S	S	*	.	S	Bend	trans	-156.5	147.2	178.3	62.8	0	0	0	0	111	V591	V591-S593 VanDerWaalsContact C-N 3.28Å; V591-S593 PolarHBondContact O-N 3.18Å
594	C	87.3	Confident	81.3	Confident	30 Å²	30	66.2 Å²	66.2	20%	0.203	37%	0.369	C	S	.	.			trans	-62.8	131.3	176.3	-63.3	0	0	0	0	112.2	T598 C608	C594-T598 WeakPolarHBondContact CB-OG1 3.05Å; C594-C608 WeakPolarHBondContact CA-SG 3.17Å; C594-C608 HydrophobicContact CB-CB 3.83Å; C594-C608 WeakPolarHBondContact CB-SG 3.03Å; C594-C608 WeakPolarHBondContact SG-CA 3.06Å; C594-C608 WeakPolarHBondContact SG-CB 2.98Å; C594-C608 CovalentContact SG-SG 2.04Å; C594-C608 PolarHBondContact SG-SG 3.48Å
595	P	84.4	Confident	80.3	Confident	59 Å²	59	68.4 Å²	68.4	38%	0.383	38%	0.383	S	S	.	.			trans	-56.6	158.6	174.3	-27.8	35.8	0	0	0	113.3	L586 Y597 T598	L586-P595 HydrophobicContact CD2-CG 3.61Å; P595-Y597 PolarHBondContact O-N 3.4Å; P595-T598 WeakPolarHBondContact CD-OG1 3.32Å; P595-T598 CarbonylContact O-C 3.56Å; P595-T598 WeakPolarHBondContact O-CA 3.07Å; P595-T598 PolarHBondContact O-N 3.49Å; P595-T598 VanDerWaalsContact O-O 3.08Å; P595-T598 PolarHBondContact O-OG1 3.38Å
596	K	79.6	Confident	79.8	Confident	106 Å²	106	73.6 Å²	73.6	46%	0.461	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-33.5	-171.8	-159.2	-176.3	-166.9	-169.6	0	115.4	T598 G617 G619	K596-T598 VanDerWaalsContact C-N 3.31Å; K596-G617 WeakPolarHBondContact CD-O 3.33Å; K596-G617 WeakPolarHBondContact CE-O 3.08Å; K596-G617 PolarHBondContact NZ-O 3.32Å; K596-G619 WeakPolarHBondContact O-CA 3.32Å
597	Y	80.5	Confident	79.7	Confident	112 Å²	112	80.1 Å²	80.1	44%	0.439	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	5.5	-178.2	-52.4	-90.4	0	0	0	114.1	P595 C611 G617	P595-Y597 PolarHBondContact O-N 3.4Å; Y597-C611 WeakPolarHBondContact O-CB 3.49Å; Y597-C611 PolarHBondContact O-N 2.99Å; Y597-C611 PolarHBondContact O-SG 3.36Å; Y597-C611 VanDerWaalsContact O-SG 3.41Å; Y597-G617 VanDerWaalsContact CE1-CA 3.44Å
598	T	83.1	Confident	79.9	Confident	20 Å²	20	74 Å²	74	12%	0.123	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	166.2	-178.6	57.9	0	0	0	0	110.8	L586 C594 P595 K596 E609 K610	L586-T598 HydrophobicContact CD1-CG2 4.18Å; C594-T598 WeakPolarHBondContact CB-OG1 3.05Å; P595-T598 WeakPolarHBondContact CD-OG1 3.32Å; P595-T598 CarbonylContact O-C 3.56Å; P595-T598 WeakPolarHBondContact O-CA 3.07Å; P595-T598 PolarHBondContact O-N 3.49Å; P595-T598 VanDerWaalsContact O-O 3.08Å; P595-T598 PolarHBondContact O-OG1 3.38Å; K596-T598 VanDerWaalsContact C-N 3.31Å; T598-E609 CarbonylContact C-O 3.52Å; T598-E609 WeakPolarHBondContact CA-O 3.09Å; T598-E609 VanDerWaalsContact CB-O 3.26Å; T598-E609 WeakPolarHBondContact CB-O 3.27Å; T598-K610 HydrophobicContact CG2-CG 4.5Å
599	H	79.2	Confident	79.9	Confident	10 Å²	10	76 Å²	76	5%	0.046	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	170.6	-179.8	70.9	-58.8	0	0	0	110.9	C608 E609 G622	H599-C608 CarbonylContact O-C 3.52Å; H599-C608 WeakPolarHBondContact O-CA 3.36Å; H599-E609 PolarHBondContact N-O 2.03Å; H599-E609 PolarHBondContact ND1-O 3.29Å; H599-E609 PolarHBondContact O-N 2.89Å; H599-G622 WeakPolarHBondContact CD2-CA 3.09Å
600	F	70.6	Confident	79.8	Confident	74 Å²	74	81.3 Å²	81.3	33%	0.325	41%	0.405	S	S	.	.			trans	-137.5	115.3	174.6	176.3	-120.1	0	0	0	110.1	V584 N602 R606 R607	V584-F600 HydrophobicContact CG1-CB 4.44Å; V584-F600 HydrophobicContact CG1-CD1 3.85Å; V584-F600 HydrophobicContact CG1-CD2 4.37Å; V584-F600 HydrophobicContact CG1-CE1 4.17Å; V584-F600 HydrophobicContact CG1-CG 3.95Å; F600-N602 VanDerWaalsContact CE2-C 3.48Å; F600-N602 WeakPolarHBondContact CE2-O 3.22Å; F600-N602 WeakPolarHBondContact CZ-O 3.41Å; F600-R606 VanDerWaalsContact CZ-CA 3.46Å; F600-R606 HydrophobicContact CZ-CB 4.33Å; F600-R606 HydrophobicContact CZ-CG 4.09Å; F600-R607 VanDerWaalsContact CD2-O 3.32Å; F600-R607 WeakPolarHBondContact CD2-O 3.33Å
601	E	65.6	Low	79.7	Confident	119 Å²	119	82.1 Å²	82.1	56%	0.556	41%	0.411	S	S	*	.			trans	-117.8	-33.1	179.2	-168	166.2	-155.3	0	0	111.9	V603	E601-V603 PolarHBondContact O-N 2.05Å
602	N	63.7	Low	79.7	Confident	72 Å²	72	84.2 Å²	84.2	39%	0.385	42%	0.419	S	S	.	.			trans	-90.2	90.6	-173.3	-172	-14.3	0	0	0	113.4	F600 L604 T605 R606	F600-N602 VanDerWaalsContact CE2-C 3.48Å; F600-N602 WeakPolarHBondContact CE2-O 3.22Å; F600-N602 WeakPolarHBondContact CZ-O 3.41Å; N602-L604 PolarHBondContact O-N 3.29Å; N602-L604 WeakPolarHBondContact OD1-CB 3.35Å; N602-L604 PolarHBondContact OD1-N 3.39Å; N602-T605 PolarHBondContact O-N 2.88Å; N602-T605 PolarHBondContact O-OG1 3.22Å; N602-R606 PolarHBondContact O-N 2.76Å
603	V	63	Low	79.7	Confident	113 Å²	113	87.4 Å²	87.4	69%	0.685	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.3	-29.3	179.2	-172.5	0	0	0	0	114.5	E601	E601-V603 PolarHBondContact O-N 2.05Å
604	L	62.1	Low	79.8	Confident	165 Å²	165	84.5 Å²	84.5	86%	0.864	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-31.6	-179.7	-64.9	165.3	0	0	0	114.2	N602	N602-L604 PolarHBondContact O-N 3.29Å; N602-L604 WeakPolarHBondContact OD1-CB 3.35Å; N602-L604 PolarHBondContact OD1-N 3.39Å
605	T	68.8	Low	80	Confident	58 Å²	58	83.1 Å²	83.1	36%	0.356	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-24.2	-174.5	59.8	0	0	0	0	113.4	N602 R607	N602-T605 PolarHBondContact O-N 2.88Å; N602-T605 PolarHBondContact O-OG1 3.22Å; T605-R607 WeakPolarHBondContact O-CG 3.37Å; T605-R607 PolarHBondContact O-N 3.18Å
606	R	77	Confident	80	Confident	121 Å²	121	82.7 Å²	82.7	46%	0.457	39%	0.391	S	S	.	.			trans	47.2	43.1	-174.4	-67.2	-171.5	177.8	-161.8	0.8	113.1	K582 V584 G585 F600 N602	K582-R606 PolarHBondContact O-NH1 3.07Å; K582-R606 VanDerWaalsContact O-NH1 3.16Å; V584-R606 CarbonylContact C-O 3.56Å; V584-R606 WeakPolarHBondContact CA-O 3.48Å; G585-R606 PolarHBondContact N-O 3.24Å; F600-R606 VanDerWaalsContact CZ-CA 3.46Å; F600-R606 HydrophobicContact CZ-CB 4.33Å; F600-R606 HydrophobicContact CZ-CG 4.09Å; N602-R606 PolarHBondContact O-N 2.76Å
607	R	85.5	Confident	80.2	Confident	171 Å²	171	78.9 Å²	78.9	65%	0.645	38%	0.381	S	S	*	.	B	Isolated β-bridge	trans	-126.3	138.4	-177.2	-77.7	172	-171.8	-174.7	0.6	113.2	G585 F600 T605	G585-R607 CarbonylContact O-C 3.44Å; G585-R607 VanDerWaalsContact O-CA 3.28Å; G585-R607 WeakPolarHBondContact O-CA 3.26Å; F600-R607 VanDerWaalsContact CD2-O 3.32Å; F600-R607 WeakPolarHBondContact CD2-O 3.33Å; T605-R607 WeakPolarHBondContact O-CG 3.37Å; T605-R607 PolarHBondContact O-N 3.18Å
608	C	89.3	Confident	80.4	Confident	16 Å²	16	76.9 Å²	76.9	11%	0.108	37%	0.373	C	S	.	.			trans	-75.9	124.9	175.6	-60.4	0	0	0	0	111.3	G585 L586 C594 H599	G585-C608 PolarHBondContact O-N 2.83Å; L586-C608 HydrophobicContact CB-CB 4.22Å; L586-C608 HydrophobicContact CD1-CB 3.68Å; C594-C608 WeakPolarHBondContact CA-SG 3.17Å; C594-C608 HydrophobicContact CB-CB 3.83Å; C594-C608 WeakPolarHBondContact CB-SG 3.03Å; C594-C608 WeakPolarHBondContact SG-CA 3.06Å; C594-C608 WeakPolarHBondContact SG-CB 2.98Å; C594-C608 CovalentContact SG-SG 2.04Å; C594-C608 PolarHBondContact SG-SG 3.48Å; H599-C608 CarbonylContact O-C 3.52Å; H599-C608 WeakPolarHBondContact O-CA 3.36Å
609	E	86.2	Confident	80.6	Confident	101 Å²	101	75.9 Å²	75.9	47%	0.472	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	150.1	179.6	-66.9	-178.4	-164.7	0	0	110.7	T598 H599	T598-E609 CarbonylContact C-O 3.52Å; T598-E609 WeakPolarHBondContact CA-O 3.09Å; T598-E609 VanDerWaalsContact CB-O 3.26Å; T598-E609 WeakPolarHBondContact CB-O 3.27Å; H599-E609 PolarHBondContact N-O 2.03Å; H599-E609 PolarHBondContact ND1-O 3.29Å; H599-E609 PolarHBondContact O-N 2.89Å
610	K	87.5	Confident	81.2	Confident	172 Å²	172	75.7 Å²	75.7	75%	0.748	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.2	142.1	-172.8	-64.6	-177.2	-179.1	-179.1	0	112.4	T598	T598-K610 HydrophobicContact CG2-CG 4.5Å
611	C	90.4	Very high	82	Confident	21 Å²	21	75.2 Å²	75.2	14%	0.142	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-67.2	159.3	169.9	-67	0	0	0	0	112.1	Y597 C615 C620	Y597-C611 WeakPolarHBondContact O-CB 3.49Å; Y597-C611 PolarHBondContact O-N 2.99Å; Y597-C611 PolarHBondContact O-SG 3.36Å; Y597-C611 VanDerWaalsContact O-SG 3.41Å; C611-C615 HydrophobicContact CB-CB 4.39Å; C611-C620 WeakPolarHBondContact CA-SG 2.92Å; C611-C620 HydrophobicContact CB-CB 3.72Å; C611-C620 WeakPolarHBondContact CB-SG 3.26Å; C611-C620 WeakPolarHBondContact SG-CB 3.28Å; C611-C620 PolarHBondContact SG-N 2.99Å; C611-C620 CovalentContact SG-SG 2.03Å; C611-C620 PolarHBondContact SG-SG 3.19Å
612	H	91.5	Very high	83.1	Confident	66 Å²	66	69.5 Å²	69.5	31%	0.306	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-60.5	141.5	169	-166.6	-86.4	0	0	0	111.3	N614 C615 N625	H612-N614 VanDerWaalsContact C-N 3.26Å; H612-N614 PolarHBondContact CE1-OD1 3.43Å; H612-N614 PolarHBondContact ND1-N 2.88Å; H612-N614 VanDerWaalsContact ND1-N 3.17Å; H612-N614 PolarHBondContact O-N 3.13Å; H612-C615 VanDerWaalsContact O-CB 3.28Å; H612-C615 WeakPolarHBondContact O-CB 3.27Å; H612-C615 PolarHBondContact O-N 2.62Å; H612-C615 PolarHBondContact O-SG 3.09Å; H612-N625 HydrophobicContact CB-CB 4.46Å; H612-N625 WeakPolarHBondContact ND1-CB 3.22Å
613	L	89.9	Confident	84.3	Confident	148 Å²	148	69.9 Å²	69.9	78%	0.775	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-53.8	-42.2	-177.2	-68.1	164.8	0	0	0	112.4	C615 Y616	L613-C615 PolarHBondContact O-N 3.27Å; L613-C615 VanDerWaalsContact O-N 3.08Å; L613-Y616 PolarHBondContact O-N 2.03Å
614	N	90.6	Very high	85.6	Confident	21 Å²	21	65.1 Å²	65.1	11%	0.112	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-68.9	-1.6	179.3	-52.8	11.2	0	0	0	114.3	H612 Y616 C650	H612-N614 VanDerWaalsContact C-N 3.26Å; H612-N614 PolarHBondContact CE1-OD1 3.43Å; H612-N614 PolarHBondContact ND1-N 2.88Å; H612-N614 VanDerWaalsContact ND1-N 3.17Å; H612-N614 PolarHBondContact O-N 3.13Å; N614-Y616 VanDerWaalsContact C-N 3.33Å; N614-Y616 WeakPolarHBondContact O-CD2 2.95Å; N614-Y616 VanDerWaalsContact O-CE2 3.23Å; N614-Y616 WeakPolarHBondContact O-CE2 3.43Å; N614-C650 HydrophobicContact CB-CB 3.7Å; N614-C650 PolarHBondContact ND2-O 3.34Å; N614-C650 VanDerWaalsContact O-CB 3.26Å; N614-C650 WeakPolarHBondContact O-CB 3.44Å
615	C	90.6	Very high	86.9	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-82	-11.4	168.5	-54.4	0	0	0	0	113.1	C611 H612 L613 Y618 C632	C611-C615 HydrophobicContact CB-CB 4.39Å; H612-C615 VanDerWaalsContact O-CB 3.28Å; H612-C615 WeakPolarHBondContact O-CB 3.27Å; H612-C615 PolarHBondContact O-N 2.62Å; H612-C615 PolarHBondContact O-SG 3.09Å; L613-C615 PolarHBondContact O-N 3.27Å; L613-C615 VanDerWaalsContact O-N 3.08Å; C615-Y618 PolarHBondContact O-N 3.03Å; C615-C632 WeakPolarHBondContact CA-SG 3.41Å; C615-C632 HydrophobicContact CB-CB 3.68Å; C615-C632 WeakPolarHBondContact CB-SG 3.15Å; C615-C632 WeakPolarHBondContact SG-CA 3.45Å; C615-C632 WeakPolarHBondContact SG-CB 3.48Å; C615-C632 CovalentContact SG-SG 2.04Å; C615-C632 PolarHBondContact SG-SG 3.4Å
616	Y	84.8	Confident	88	Confident	51 Å²	51	61 Å²	61	20%	0.2	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	48.3	-146.1	-178.7	-57.5	-99.2	0	0	0	112	L613 N614 Y618 K636 L651 Q652 E653	L613-Y616 PolarHBondContact O-N 2.03Å; N614-Y616 VanDerWaalsContact C-N 3.33Å; N614-Y616 WeakPolarHBondContact O-CD2 2.95Å; N614-Y616 VanDerWaalsContact O-CE2 3.23Å; N614-Y616 WeakPolarHBondContact O-CE2 3.43Å; Y616-Y618 VanDerWaalsContact C-N 3.26Å; Y616-Y618 PolarHBondContact O-N 3.06Å; Y616-K636 HydrophobicContact CD1-CB 4.01Å; Y616-K636 HydrophobicContact CD1-CD 3.92Å; Y616-K636 HydrophobicContact CD2-CB 3.52Å; Y616-K636 HydrophobicContact CE1-CB 3.88Å; Y616-K636 HydrophobicContact CE1-CD 3.73Å; Y616-K636 HydrophobicContact CE1-CG 4.44Å; Y616-K636 HydrophobicContact CE2-CB 3.42Å; Y616-K636 VanDerWaalsContact CE2-CB 3.42Å; Y616-K636 HydrophobicContact CG-CB 3.84Å; Y616-L651 WeakPolarHBondContact CE2-O 3.48Å; Y616-L651 PolarHBondContact OH-O 3.31Å; Y616-Q652 VanDerWaalsContact OH-C 3.26Å; Y616-Q652 WeakPolarHBondContact OH-CA 3.3Å; Y616-E653 HydrophobicContact CE1-CB 3.95Å; Y616-E653 PolarHBondContact OH-N 3.49Å
617	G	83.8	Confident	88.7	Confident	25 Å²	25	56.9 Å²	56.9	26%	0.258	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-83.5	23	172.5	0	0	0	0	0	115.5	K596 Y597	K596-G617 WeakPolarHBondContact CD-O 3.33Å; K596-G617 WeakPolarHBondContact CE-O 3.08Å; K596-G617 PolarHBondContact NZ-O 3.32Å; Y597-G617 VanDerWaalsContact CE1-CA 3.44Å
618	Y	86.1	Confident	88.7	Confident	70 Å²	70	49.9 Å²	49.9	28%	0.275	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-93.9	-21	173.1	-56	-66.7	0	0	0	112.9	C615 Y616 R634 K636 A684	C615-Y618 PolarHBondContact O-N 3.03Å; Y616-Y618 VanDerWaalsContact C-N 3.26Å; Y616-Y618 PolarHBondContact O-N 3.06Å; Y618-R634 WeakPolarHBondContact CB-O 3.35Å; Y618-R634 HydrophobicContact CD1-CB 4.22Å; Y618-R634 HydrophobicContact CD1-CG 4.48Å; Y618-R634 HydrophobicContact CD2-CB 4.29Å; Y618-R634 WeakPolarHBondContact CD2-O 3.11Å; Y618-R634 HydrophobicContact CG-CB 3.82Å; Y618-R634 HydrophobicContact CG-CG 4.37Å; Y618-K636 HydrophobicContact CE2-CB 4.1Å; Y618-A684 HydrophobicContact CE1-CB 4.33Å; Y618-A684 HydrophobicContact CE2-CB 4.21Å; Y618-A684 WeakPolarHBondContact OH-CB 3.41Å
619	G	87.2	Confident	88.6	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.299	C	S	.	.			trans	81.6	178.6	178.4	0	0	0	0	0	114.5	K596 K633	K596-G619 WeakPolarHBondContact O-CA 3.32Å; G619-K633 PolarHBondContact O-N 2.8Å
620	C	90.8	Very high	88.7	Confident	5 Å²	5	51.3 Å²	51.3	3%	0.034	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-140.7	176.8	-171.3	67.7	0	0	0	0	112.6	C611 G622 G631 K633	C611-C620 WeakPolarHBondContact CA-SG 2.92Å; C611-C620 HydrophobicContact CB-CB 3.72Å; C611-C620 WeakPolarHBondContact CB-SG 3.26Å; C611-C620 WeakPolarHBondContact SG-CB 3.28Å; C611-C620 PolarHBondContact SG-N 2.99Å; C611-C620 CovalentContact SG-SG 2.03Å; C611-C620 PolarHBondContact SG-SG 3.19Å; C620-G622 WeakPolarHBondContact CB-O 3.38Å; C620-G622 PolarHBondContact SG-O 2.88Å; C620-G631 CarbonylContact C-O 3.55Å; C620-G631 VanDerWaalsContact CA-O 3.23Å; C620-G631 WeakPolarHBondContact CA-O 3.49Å; C620-G631 VanDerWaalsContact CB-O 3.3Å; C620-G631 WeakPolarHBondContact CB-O 3.15Å; C620-K633 VanDerWaalsContact O-CE 3.3Å; C620-K633 WeakPolarHBondContact O-CE 3.49Å
621	T	88.1	Confident	88.8	Confident	64 Å²	64	43.1 Å²	43.1	39%	0.393	25%	0.252	S	S	.	.	S	Bend	trans	-122.3	-10.5	169	58.1	0	0	0	0	112.5	G628 P629 G630 G631 K633	T621-G628 PolarHBondContact OG1-O 3.16Å; T621-P629 WeakPolarHBondContact OG1-CA 3.49Å; T621-G630 PolarHBondContact OG1-N 3.25Å; T621-G631 PolarHBondContact N-O 2.94Å; T621-G631 PolarHBondContact OG1-O 2.88Å; T621-K633 HydrophobicContact CG2-CG 4.46Å
622	G	87.3	Confident	88.9	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	-160.4	-178.5	179	0	0	0	0	0	110.7	H599 C620 G624 G630	H599-G622 WeakPolarHBondContact CD2-CA 3.09Å; C620-G622 WeakPolarHBondContact CB-O 3.38Å; C620-G622 PolarHBondContact SG-O 2.88Å; G622-G624 VanDerWaalsContact C-N 3.26Å; G622-G624 PolarHBondContact O-N 3.18Å; G622-G630 CarbonylContact C-O 3.57Å; G622-G630 VanDerWaalsContact C-O 3.26Å; G622-G630 VanDerWaalsContact CA-C 3.47Å; G622-G630 VanDerWaalsContact CA-O 3.29Å; G622-G630 WeakPolarHBondContact CA-O 3.34Å
623	P	89.3	Confident	88.8	Confident	79 Å²	79	45 Å²	45	51%	0.513	26%	0.257	S	S	.	.	S	Bend	trans	-78.6	-2.1	-177.4	32.4	-36.2	0	0	0	114.4
624	G	90	Very high	88.9	Confident	13 Å²	13	42 Å²	42	13%	0.134	24%	0.235	C	C	.	.			trans	-71	153.8	-176.9	0	0	0	0	0	115	G622 G630 G631	G622-G624 VanDerWaalsContact C-N 3.26Å; G622-G624 PolarHBondContact O-N 3.18Å; G624-G630 WeakPolarHBondContact CA-O 3.26Å; G624-G630 PolarHBondContact N-O 3.48Å; G624-G631 WeakPolarHBondContact O-CA 3.37Å
625	N	91.3	Very high	88.9	Confident	57 Å²	57	41 Å²	41	31%	0.305	23%	0.23	S	C	.	.	S	Bend	trans	-98.2	14.4	-180	72	-17	0	0	0	114.2	H612 C650	H612-N625 HydrophobicContact CB-CB 4.46Å; H612-N625 WeakPolarHBondContact ND1-CB 3.22Å; N625-C650 VanDerWaalsContact O-CB 3.25Å; N625-C650 WeakPolarHBondContact O-CB 3.38Å; N625-C650 PolarHBondContact O-N 3.45Å
626	F	91.6	Very high	89	Confident	79 Å²	79	43.1 Å²	43.1	35%	0.346	24%	0.239	S	C	.	.	S	Bend	trans	-109.5	168	-179.5	55.6	-92.3	0	0	0	110.8	P629 G631 C632 T648	F626-P629 WeakPolarHBondContact CE2-O 3.06Å; F626-G631 CarbonylContact O-C 3.49Å; F626-C632 WeakPolarHBondContact O-CB 3.07Å; F626-C632 PolarHBondContact O-N 3.21Å; F626-T648 WeakPolarHBondContact CB-O 3.29Å
627	V	90.5	Very high	89.3	Confident	36 Å²	36	41.2 Å²	41.2	22%	0.218	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-88.7	118.3	177.7	-175.9	0	0	0	0	110.7	C632 C635 I647	V627-C632 WeakPolarHBondContact CA-O 3.07Å; V627-C635 WeakPolarHBondContact CG2-SG 3.45Å; V627-I647 HydrophobicContact CB-CB 4.31Å; V627-I647 HydrophobicContact CG2-CB 3.87Å; V627-I647 HydrophobicContact CG2-CG1 4.4Å; V627-I647 HydrophobicContact CG2-CG2 3.9Å
628	G	86.9	Confident	89.7	Confident	24 Å²	24	40 Å²	40	25%	0.247	22%	0.219	C	C	.	.	S	Bend	trans	145	-169.9	175.6	0	0	0	0	0	114.7	T621 G630 G631 C632	T621-G628 PolarHBondContact OG1-O 3.16Å; G628-G630 PolarHBondContact O-N 3.19Å; G628-G631 CarbonylContact O-C 3.49Å; G628-G631 PolarHBondContact O-N 3.07Å; G628-C632 PolarHBondContact N-O 2.97Å
629	P	87.1	Confident	90	Very high	125 Å²	125	37 Å²	37	81%	0.812	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	131.3	173.5	-21.9	33.7	0	0	0	111.4	T621 F626 G631	T621-P629 WeakPolarHBondContact OG1-CA 3.49Å; F626-P629 WeakPolarHBondContact CE2-O 3.06Å; P629-G631 VanDerWaalsContact C-N 3.29Å
630	G	86.8	Confident	90.2	Very high	21 Å²	21	37.6 Å²	37.6	22%	0.216	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	-0.8	-174.6	0	0	0	0	0	114.5	T621 G622 G624 G628	T621-G630 PolarHBondContact OG1-N 3.25Å; G622-G630 CarbonylContact C-O 3.57Å; G622-G630 VanDerWaalsContact C-O 3.26Å; G622-G630 VanDerWaalsContact CA-C 3.47Å; G622-G630 VanDerWaalsContact CA-O 3.29Å; G622-G630 WeakPolarHBondContact CA-O 3.34Å; G624-G630 WeakPolarHBondContact CA-O 3.26Å; G624-G630 PolarHBondContact N-O 3.48Å; G628-G630 PolarHBondContact O-N 3.19Å
631	G	90.3	Very high	90	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	-139.3	-154.2	-179.7	0	0	0	0	0	113.8	C620 T621 G624 F626 G628 P629	C620-G631 CarbonylContact C-O 3.55Å; C620-G631 VanDerWaalsContact CA-O 3.23Å; C620-G631 WeakPolarHBondContact CA-O 3.49Å; C620-G631 VanDerWaalsContact CB-O 3.3Å; C620-G631 WeakPolarHBondContact CB-O 3.15Å; T621-G631 PolarHBondContact N-O 2.94Å; T621-G631 PolarHBondContact OG1-O 2.88Å; G624-G631 WeakPolarHBondContact O-CA 3.37Å; F626-G631 CarbonylContact O-C 3.49Å; G628-G631 CarbonylContact O-C 3.49Å; G628-G631 PolarHBondContact O-N 3.07Å; P629-G631 VanDerWaalsContact C-N 3.29Å
632	C	92.2	Very high	89.8	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-68.5	147.3	179.8	-52.5	0	0	0	0	112.5	C615 F626 V627 G628 C650	C615-C632 WeakPolarHBondContact CA-SG 3.41Å; C615-C632 HydrophobicContact CB-CB 3.68Å; C615-C632 WeakPolarHBondContact CB-SG 3.15Å; C615-C632 WeakPolarHBondContact SG-CA 3.45Å; C615-C632 WeakPolarHBondContact SG-CB 3.48Å; C615-C632 CovalentContact SG-SG 2.04Å; C615-C632 PolarHBondContact SG-SG 3.4Å; F626-C632 WeakPolarHBondContact O-CB 3.07Å; F626-C632 PolarHBondContact O-N 3.21Å; V627-C632 WeakPolarHBondContact CA-O 3.07Å; G628-C632 PolarHBondContact N-O 2.97Å; C632-C650 VanDerWaalsContact SG-SG 3.63Å
633	K	90.7	Very high	89.5	Confident	127 Å²	127	49 Å²	49	55%	0.552	26%	0.261	S	S	*	.	S	Bend	trans	-74.6	-31.9	170.7	-67	179.7	179.3	176.2	0	112.1	G619 C620 T621	G619-K633 PolarHBondContact O-N 2.8Å; C620-K633 VanDerWaalsContact O-CE 3.3Å; C620-K633 WeakPolarHBondContact O-CE 3.49Å; T621-K633 HydrophobicContact CG2-CG 4.46Å
634	R	91.2	Very high	89.2	Confident	84 Å²	84	47.6 Å²	47.6	32%	0.317	25%	0.253	S	S	.	.			trans	-161.9	148.1	177.7	-166.8	176.9	-172.1	-160.6	-0.1	109.3	Y618 Q680 K681 S682 V683	Y618-R634 WeakPolarHBondContact CB-O 3.35Å; Y618-R634 HydrophobicContact CD1-CB 4.22Å; Y618-R634 HydrophobicContact CD1-CG 4.48Å; Y618-R634 HydrophobicContact CD2-CB 4.29Å; Y618-R634 WeakPolarHBondContact CD2-O 3.11Å; Y618-R634 HydrophobicContact CG-CB 3.82Å; Y618-R634 HydrophobicContact CG-CG 4.37Å; R634-Q680 VanDerWaalsContact CZ-O 3.31Å; R634-Q680 PolarHBondContact NE-O 2.9Å; R634-Q680 PolarHBondContact NH2-O 3.47Å; R634-K681 WeakPolarHBondContact CD-O 3.48Å; R634-K681 WeakPolarHBondContact CG-O 3.35Å; R634-K681 PolarHBondContact NE-O 3.22Å; R634-S682 CarbonylContact C-O 3.27Å; R634-S682 WeakPolarHBondContact CA-O 3.12Å; R634-S682 VanDerWaalsContact CG-C 3.49Å; R634-S682 VanDerWaalsContact CG-O 3.3Å; R634-S682 WeakPolarHBondContact CG-O 3.47Å; R634-V683 PolarHBondContact NH2-O 3.45Å
635	C	91.4	Very high	88.9	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	159.3	170.8	-42.9	0	0	0	0	111.9	V627 Y637 C650 S682 V683 A684	V627-C635 WeakPolarHBondContact CG2-SG 3.45Å; C635-Y637 WeakPolarHBondContact CB-O 3.27Å; C635-C650 HydrophobicContact CB-CB 3.6Å; C635-C650 WeakPolarHBondContact CB-SG 3.33Å; C635-C650 WeakPolarHBondContact SG-CA 3.47Å; C635-C650 WeakPolarHBondContact SG-CB 3.35Å; C635-C650 CovalentContact SG-SG 2.03Å; C635-C650 PolarHBondContact SG-SG 3.31Å; C635-S682 PolarHBondContact N-O 2.82Å; C635-V683 HydrophobicContact CB-CG2 4.32Å; C635-V683 CarbonylContact O-C 3.4Å; C635-V683 WeakPolarHBondContact O-CA 3.45Å; C635-A684 PolarHBondContact O-N 2.03Å
636	K	91.1	Very high	88.7	Confident	46 Å²	46	51 Å²	51	20%	0.2	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	-47.9	160.5	-165	174.6	178.1	-179.8	0	110.9	Y616 Y618 E653 V683 L685	Y616-K636 HydrophobicContact CD1-CB 4.01Å; Y616-K636 HydrophobicContact CD1-CD 3.92Å; Y616-K636 HydrophobicContact CD2-CB 3.52Å; Y616-K636 HydrophobicContact CE1-CB 3.88Å; Y616-K636 HydrophobicContact CE1-CD 3.73Å; Y616-K636 HydrophobicContact CE1-CG 4.44Å; Y616-K636 HydrophobicContact CE2-CB 3.42Å; Y616-K636 VanDerWaalsContact CE2-CB 3.42Å; Y616-K636 HydrophobicContact CG-CB 3.84Å; Y618-K636 HydrophobicContact CE2-CB 4.1Å; K636-E653 WeakPolarHBondContact CD-OE2 3.3Å; K636-E653 WeakPolarHBondContact CE-OE1 3.38Å; K636-E653 WeakPolarHBondContact CE-OE2 3.38Å; K636-E653 IonicContact NZ-OE1 3.89Å; K636-E653 PolarHBondContact NZ-OE1 2.81Å; K636-E653 IonicContact NZ-OE2 2.61Å; K636-E653 PolarHBondContact NZ-OE2 2.86Å; K636-V683 WeakPolarHBondContact O-CG1 3.29Å; K636-L685 HydrophobicContact CD-CD1 4.2Å; K636-L685 HydrophobicContact CG-CD1 3.81Å; K636-L685 HydrophobicContact CG-CG 4.16Å; K636-L685 PolarHBondContact O-N 3.41Å
637	Y	91.7	Very high	88.7	Confident	11 Å²	11	47.8 Å²	47.8	4%	0.043	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	147.2	175.6	-52.5	-73.3	0	0	0	109.6	C635 C650 L651 E653 P659 L685 A686	C635-Y637 WeakPolarHBondContact CB-O 3.27Å; Y637-C650 WeakPolarHBondContact O-CA 3.23Å; Y637-L651 PolarHBondContact O-N 2.85Å; Y637-E653 HydrophobicContact CD2-CB 4.37Å; Y637-E653 HydrophobicContact CE2-CB 3.89Å; Y637-E653 HydrophobicContact CE2-CG 3.83Å; Y637-E653 PolarHBondContact OH-OE1 3.35Å; Y637-P659 HydrophobicContact CD1-CB 3.91Å; Y637-P659 HydrophobicContact CE1-CB 4.29Å; Y637-P659 HydrophobicContact CG-CB 4.29Å; Y637-L685 HydrophobicContact CD1-CB 4.25Å; Y637-L685 HydrophobicContact CE1-CB 3.82Å; Y637-L685 HydrophobicContact CE1-CD1 4.08Å; Y637-A686 WeakPolarHBondContact CA-O 3.13Å; Y637-A686 HydrophobicContact CD1-CB 4.03Å; Y637-A686 HydrophobicContact CE1-CB 4.37Å
638	G	91.9	Very high	88.6	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	159.2	179.8	0	0	0	0	0	114.4	R649 A686 V687 C688	G638-R649 CarbonylContact C-O 3.34Å; G638-R649 VanDerWaalsContact CA-O 3.24Å; G638-R649 WeakPolarHBondContact CA-O 3.33Å; G638-A686 PolarHBondContact N-O 2.94Å; G638-V687 CarbonylContact O-C 3.55Å; G638-V687 VanDerWaalsContact O-CA 3.23Å; G638-V687 WeakPolarHBondContact O-CA 3.34Å; G638-C688 PolarHBondContact O-N 3.17Å
639	V	93.2	Very high	88.8	Confident	6 Å²	6	51.2 Å²	51.2	4%	0.036	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	120.4	172.9	-176.1	0	0	0	0	108.5	I647 T648 R649 L651 L666 Y669 C688	V639-I647 WeakPolarHBondContact O-CA 3.42Å; V639-T648 PolarHBondContact O-N 2.89Å; V639-T648 PolarHBondContact O-OG1 3.09Å; V639-R649 HydrophobicContact CB-CG 4.17Å; V639-R649 HydrophobicContact CG2-CG 3.69Å; V639-R649 PolarHBondContact N-O 3.04Å; V639-L651 HydrophobicContact CG2-CD1 3.99Å; V639-L651 HydrophobicContact CG2-CD2 3.8Å; V639-L651 HydrophobicContact CG2-CG 4.07Å; V639-L666 HydrophobicContact CG1-CD2 4.46Å; V639-L666 HydrophobicContact CG2-CD1 3.95Å; V639-L666 HydrophobicContact CG2-CD2 4.03Å; V639-Y669 HydrophobicContact CG1-CD1 4.47Å; V639-Y669 HydrophobicContact CG1-CE1 3.78Å; V639-C688 HydrophobicContact CG2-CB 4.45Å
640	L	90.8	Very high	89.1	Confident	13 Å²	13	45.3 Å²	45.3	7%	0.068	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	126.9	174.8	179.2	67.4	0	0	0	109	E642 I647 I679 V687 C688 I689	L640-E642 HydrophobicContact CD2-CG 4.42Å; L640-I647 HydrophobicContact CB-CD1 4.38Å; L640-I647 HydrophobicContact CD1-CD1 4.1Å; L640-I679 HydrophobicContact CD1-CD1 3.61Å; L640-I679 HydrophobicContact CD1-CG1 3.95Å; L640-I679 HydrophobicContact CD2-CD1 3.75Å; L640-I679 HydrophobicContact CG-CD1 4.37Å; L640-V687 HydrophobicContact CB-CB 4.16Å; L640-C688 PolarHBondContact N-O 3.33Å; L640-I689 HydrophobicContact CB-CG1 4.29Å; L640-I689 HydrophobicContact CD2-CD1 3.83Å; L640-I689 HydrophobicContact CD2-CG1 4.02Å
641	D	87.5	Confident	89.3	Confident	42 Å²	42	44.5 Å²	44.5	23%	0.225	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	117	158.7	172	38.1	0	0	0	109	E643 S644 Q645 T646 T648	D641-E643 VanDerWaalsContact C-N 3.33Å; D641-E643 PolarHBondContact OD1-N 2.99Å; D641-S644 WeakPolarHBondContact OD2-CB 3.38Å; D641-S644 PolarHBondContact OD2-N 2.93Å; D641-S644 PolarHBondContact OD2-OG 3.12Å; D641-Q645 VanDerWaalsContact O-CA 3.28Å; D641-Q645 WeakPolarHBondContact O-CA 3.3Å; D641-Q645 PolarHBondContact O-N 2.87Å; D641-T646 PolarHBondContact N-O 2.93Å; D641-T646 PolarHBondContact O-N 2.79Å; D641-T648 HydrophobicContact CB-CG2 3.64Å
642	E	82.6	Confident	89.2	Confident	83 Å²	83	50 Å²	50	39%	0.388	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-29.1	-177.5	-64.6	-173.9	102.4	0	0	112.3	L640 Q645 I689	L640-E642 HydrophobicContact CD2-CG 4.42Å; E642-Q645 PolarHBondContact O-NE2 2.04Å; E642-I689 HydrophobicContact CG-CG2 3.96Å; E642-I689 WeakPolarHBondContact OE1-CG2 3.47Å; E642-I689 WeakPolarHBondContact OE2-CG2 3.35Å
643	E	82.3	Confident	88.5	Confident	182 Å²	182	53.3 Å²	53.3	85%	0.85	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-49.8	-179.2	-66.7	-179.8	-164.8	0	0	111.2	D641	D641-E643 VanDerWaalsContact C-N 3.33Å; D641-E643 PolarHBondContact OD1-N 2.99Å
644	S	82.5	Confident	87.8	Confident	51 Å²	51	52 Å²	52	36%	0.357	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-13.8	177.3	65.8	0	0	0	0	114.4	D641 T646	D641-S644 WeakPolarHBondContact OD2-CB 3.38Å; D641-S644 PolarHBondContact OD2-N 2.93Å; D641-S644 PolarHBondContact OD2-OG 3.12Å; S644-T646 VanDerWaalsContact C-N 3.27Å; S644-T646 WeakPolarHBondContact O-CG2 3.23Å; S644-T646 PolarHBondContact O-N 3.21Å; S644-T646 PolarHBondContact OG-N 3.19Å; S644-T646 PolarHBondContact OG-OG1 3.3Å
645	Q	83.4	Confident	86.8	Confident	78 Å²	78	49.5 Å²	49.5	36%	0.364	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	46.5	-168.1	-66.3	-71.4	-52.9	0	0	111.3	D641 E642 K678	D641-Q645 VanDerWaalsContact O-CA 3.28Å; D641-Q645 WeakPolarHBondContact O-CA 3.3Å; D641-Q645 PolarHBondContact O-N 2.87Å; E642-Q645 PolarHBondContact O-NE2 2.04Å; Q645-K678 WeakPolarHBondContact O-CE 3.05Å; Q645-K678 PolarHBondContact O-NZ 3.44Å
646	T	87.3	Confident	85.7	Confident	64 Å²	64	52.7 Å²	52.7	39%	0.393	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	166	178.9	72.2	0	0	0	0	112.5	D641 S644	D641-T646 PolarHBondContact N-O 2.93Å; D641-T646 PolarHBondContact O-N 2.79Å; S644-T646 VanDerWaalsContact C-N 3.27Å; S644-T646 WeakPolarHBondContact O-CG2 3.23Å; S644-T646 PolarHBondContact O-N 3.21Å; S644-T646 PolarHBondContact OG-N 3.19Å; S644-T646 PolarHBondContact OG-OG1 3.3Å
647	I	90.5	Very high	84.7	Confident	10 Å²	10	57.6 Å²	57.6	5%	0.051	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	108.3	178.4	-56.6	-62.4	0	0	0	108.7	V627 V639 L640 I679 V683 V687	V627-I647 HydrophobicContact CB-CB 4.31Å; V627-I647 HydrophobicContact CG2-CB 3.87Å; V627-I647 HydrophobicContact CG2-CG1 4.4Å; V627-I647 HydrophobicContact CG2-CG2 3.9Å; V639-I647 WeakPolarHBondContact O-CA 3.42Å; L640-I647 HydrophobicContact CB-CD1 4.38Å; L640-I647 HydrophobicContact CD1-CD1 4.1Å; I647-I679 HydrophobicContact CD1-CG2 4.31Å; I647-V683 HydrophobicContact CD1-CG2 3.45Å; I647-V683 VanDerWaalsContact CD1-CG2 3.45Å; I647-V683 HydrophobicContact CG1-CG2 3.6Å; I647-V683 HydrophobicContact CG2-CG2 4.25Å; I647-V687 HydrophobicContact CD1-CG1 4.03Å
648	T	89.5	Confident	84	Confident	74 Å²	74	62.8 Å²	62.8	45%	0.454	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	-35.8	-173.9	55.7	0	0	0	0	112.3	F626 V639 D641	F626-T648 WeakPolarHBondContact CB-O 3.29Å; V639-T648 PolarHBondContact O-N 2.89Å; V639-T648 PolarHBondContact O-OG1 3.09Å; D641-T648 HydrophobicContact CB-CG2 3.64Å
649	R	91.7	Very high	83.3	Confident	59 Å²	59	63.3 Å²	63.3	22%	0.223	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	147.1	170.8	71.6	-177.1	-165.5	-141.5	9.1	112.4	G638 V639 L651 D663 D665	G638-R649 CarbonylContact C-O 3.34Å; G638-R649 VanDerWaalsContact CA-O 3.24Å; G638-R649 WeakPolarHBondContact CA-O 3.33Å; V639-R649 HydrophobicContact CB-CG 4.17Å; V639-R649 HydrophobicContact CG2-CG 3.69Å; V639-R649 PolarHBondContact N-O 3.04Å; R649-L651 HydrophobicContact CG-CD2 4.07Å; R649-D663 IonicContact CZ-OD2 3.69Å; R649-D663 IonicContact NE-OD2 3.34Å; R649-D663 IonicContact NH2-OD2 3.46Å; R649-D663 PolarHBondContact NH2-OD2 3.46Å; R649-D665 IonicContact CZ-OD1 2.97Å; R649-D665 IonicContact CZ-OD2 3.23Å; R649-D665 IonicContact NH1-OD1 3.97Å; R649-D665 IonicContact NH1-OD2 3.2Å; R649-D665 PolarHBondContact NH1-OD2 3.37Å; R649-D665 IonicContact NH2-OD1 3.98Å; R649-D665 PolarHBondContact NH2-OD1 2.89Å; R649-D665 IonicContact NH2-OD2 3.58Å; R649-D665 PolarHBondContact NH2-OD2 3.16Å
650	C	93.3	Very high	82.9	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	139.1	163.3	-59.9	0	0	0	0	110.1	N614 N625 C632 C635 Y637	N614-C650 HydrophobicContact CB-CB 3.7Å; N614-C650 PolarHBondContact ND2-O 3.34Å; N614-C650 VanDerWaalsContact O-CB 3.26Å; N614-C650 WeakPolarHBondContact O-CB 3.44Å; N625-C650 VanDerWaalsContact O-CB 3.25Å; N625-C650 WeakPolarHBondContact O-CB 3.38Å; N625-C650 PolarHBondContact O-N 3.45Å; C632-C650 VanDerWaalsContact SG-SG 3.63Å; C635-C650 HydrophobicContact CB-CB 3.6Å; C635-C650 WeakPolarHBondContact CB-SG 3.33Å; C635-C650 WeakPolarHBondContact SG-CA 3.47Å; C635-C650 WeakPolarHBondContact SG-CB 3.35Å; C635-C650 CovalentContact SG-SG 2.03Å; C635-C650 PolarHBondContact SG-SG 3.31Å; Y637-C650 WeakPolarHBondContact O-CA 3.23Å
651	L	90.9	Very high	82.1	Confident	5 Å²	5	66.6 Å²	66.6	3%	0.026	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	157.2	180	-59.6	175.5	0	0	0	111.8	Y616 Y637 V639 R649 D663 L666 C688	Y616-L651 WeakPolarHBondContact CE2-O 3.48Å; Y616-L651 PolarHBondContact OH-O 3.31Å; Y637-L651 PolarHBondContact O-N 2.85Å; V639-L651 HydrophobicContact CG2-CD1 3.99Å; V639-L651 HydrophobicContact CG2-CD2 3.8Å; V639-L651 HydrophobicContact CG2-CG 4.07Å; R649-L651 HydrophobicContact CG-CD2 4.07Å; L651-D663 WeakPolarHBondContact CD2-OD2 3.3Å; L651-L666 HydrophobicContact CD1-CD1 3.86Å; L651-L666 HydrophobicContact CD2-CD1 3.99Å; L651-C688 HydrophobicContact CD1-CB 4.42Å; L651-C688 WeakPolarHBondContact CD1-SG 3.32Å
652	Q	86.7	Confident	81.4	Confident	114 Å²	114	69.2 Å²	69.2	53%	0.533	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-85.9	147.5	174.5	-175.4	173.9	-9	0	0	111.1	Y616 L654	Y616-Q652 VanDerWaalsContact OH-C 3.26Å; Y616-Q652 WeakPolarHBondContact OH-CA 3.3Å; Q652-L654 HydrophobicContact CG-CG 4.43Å; Q652-L654 PolarHBondContact O-N 3.32Å
653	E	78.4	Confident	81	Confident	70 Å²	70	68.2 Å²	68.2	33%	0.327	36%	0.36	S	S	.	.			trans	-83.6	97.6	178.6	-175.7	162.6	-147.5	0	0	110.3	Y616 K636 Y637	Y616-E653 HydrophobicContact CE1-CB 3.95Å; Y616-E653 PolarHBondContact OH-N 3.49Å; K636-E653 WeakPolarHBondContact CD-OE2 3.3Å; K636-E653 WeakPolarHBondContact CE-OE1 3.38Å; K636-E653 WeakPolarHBondContact CE-OE2 3.38Å; K636-E653 IonicContact NZ-OE1 3.89Å; K636-E653 PolarHBondContact NZ-OE1 2.81Å; K636-E653 IonicContact NZ-OE2 2.61Å; K636-E653 PolarHBondContact NZ-OE2 2.86Å; Y637-E653 HydrophobicContact CD2-CB 4.37Å; Y637-E653 HydrophobicContact CE2-CB 3.89Å; Y637-E653 HydrophobicContact CE2-CG 3.83Å; Y637-E653 PolarHBondContact OH-OE1 3.35Å
654	L	76	Confident	80.8	Confident	101 Å²	101	63.7 Å²	63.7	53%	0.529	35%	0.353	S	S	.	.	S	Bend	trans	-108.9	-27.7	174.4	-64.6	172.1	0	0	0	112.1	Q652 H662	Q652-L654 HydrophobicContact CG-CG 4.43Å; Q652-L654 PolarHBondContact O-N 3.32Å; L654-H662 HydrophobicContact CB-CB 4.16Å; L654-H662 HydrophobicContact CD1-CB 3.65Å
655	S	71.2	Confident	80.9	Confident	31 Å²	31	65.6 Å²	65.6	22%	0.217	36%	0.36	C	S	.	.			trans	-153.3	137.4	165.7	176.4	0	0	0	0	110.2	E657 K658 H662	S655-E657 VanDerWaalsContact C-N 3.32Å; S655-E657 PolarHBondContact OG-N 3.42Å; S655-E657 VanDerWaalsContact OG-N 3.12Å; S655-K658 PolarHBondContact OG-N 3.33Å; S655-H662 WeakPolarHBondContact CB-NE2 3.38Å
656	A	67	Low	81.1	Confident	66 Å²	66	62 Å²	62	55%	0.545	34%	0.343	S	S	.	.	S	Bend	trans	-73.7	-23.6	171.7	0	0	0	0	0	112.8
657	E	71.4	Confident	80.8	Confident	149 Å²	149	64 Å²	64	70%	0.696	35%	0.348	S	S	*	.	S	Bend	trans	-86	-26.2	-177.3	-60.4	176.8	175.6	0	0	112.8	S655 W671	S655-E657 VanDerWaalsContact C-N 3.32Å; S655-E657 PolarHBondContact OG-N 3.42Å; S655-E657 VanDerWaalsContact OG-N 3.12Å; E657-W671 PolarHBondContact O-NE1 3.04Å; E657-W671 VanDerWaalsContact O-NE1 3.09Å
658	K	76.2	Confident	80.7	Confident	120 Å²	120	67 Å²	67	52%	0.522	36%	0.364	S	S	.	.			trans	-136.6	56.8	-173.9	-63.9	-175.1	-177.6	173.8	0	112.7	S655 C660 S661 H662	S655-K658 PolarHBondContact OG-N 3.33Å; K658-C660 PolarHBondContact O-N 2.84Å; K658-S661 PolarHBondContact O-N 3.2Å; K658-H662 PolarHBondContact O-CD2 3.27Å
659	P	76.9	Confident	80.8	Confident	12 Å²	12	65.4 Å²	65.4	8%	0.078	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-19.7	-172.5	24.1	-35.2	0	0	0	115.1	Y637 W671 A686	Y637-P659 HydrophobicContact CD1-CB 3.91Å; Y637-P659 HydrophobicContact CE1-CB 4.29Å; Y637-P659 HydrophobicContact CG-CB 4.29Å; P659-W671 HydrophobicContact CG-CB 3.69Å; P659-W671 HydrophobicContact CG-CD2 4.15Å; P659-W671 HydrophobicContact CG-CG 3.7Å; P659-A686 HydrophobicContact CG-CB 4.24Å
660	C	85.6	Confident	80.7	Confident	2 Å²	2	64.1 Å²	64.1	1%	0.014	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-14.4	176.9	-46.7	0	0	0	0	114.3	K658 H662 L666 W671 C688	K658-C660 PolarHBondContact O-N 2.84Å; C660-H662 PolarHBondContact O-N 3.16Å; C660-L666 HydrophobicContact CB-CB 4.49Å; C660-L666 VanDerWaalsContact O-CB 3.25Å; C660-L666 WeakPolarHBondContact O-CB 3.41Å; C660-W671 VanDerWaalsContact SG-CB 3.53Å; C660-C688 WeakPolarHBondContact CA-SG 3.49Å; C660-C688 HydrophobicContact CB-CB 4.03Å; C660-C688 WeakPolarHBondContact CB-SG 3.36Å; C660-C688 WeakPolarHBondContact SG-CA 3.29Å; C660-C688 WeakPolarHBondContact SG-CB 3.27Å; C660-C688 CovalentContact SG-SG 2.03Å; C660-C688 PolarHBondContact SG-SG 2.94Å
661	S	74.4	Confident	80.5	Confident	85 Å²	85	69.8 Å²	69.8	59%	0.594	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	1.5	-167.2	-49.6	0	0	0	0	115.1	K658	K658-S661 PolarHBondContact O-N 3.2Å
662	H	71.4	Confident	80.4	Confident	98 Å²	98	71.1 Å²	71.1	45%	0.454	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-25.1	-178.2	-70.4	-81	0	0	0	113.9	L654 S655 K658 C660	L654-H662 HydrophobicContact CB-CB 4.16Å; L654-H662 HydrophobicContact CD1-CB 3.65Å; S655-H662 WeakPolarHBondContact CB-NE2 3.38Å; K658-H662 PolarHBondContact O-CD2 3.27Å; C660-H662 PolarHBondContact O-N 3.16Å
663	D	75	Confident	80.4	Confident	61 Å²	61	69.6 Å²	69.6	33%	0.326	37%	0.373	S	S	.	.	S	Bend	trans	-90.8	120.7	175.7	-90	-15.6	0	0	0	108.8	R649 L651 D665 L666	R649-D663 IonicContact CZ-OD2 3.69Å; R649-D663 IonicContact NE-OD2 3.34Å; R649-D663 IonicContact NH2-OD2 3.46Å; R649-D663 PolarHBondContact NH2-OD2 3.46Å; L651-D663 WeakPolarHBondContact CD2-OD2 3.3Å; D663-D665 WeakPolarHBondContact CB-OD1 3.38Å; D663-D665 PolarHBondContact O-N 2.96Å; D663-L666 HydrophobicContact CB-CB 4.13Å; D663-L666 HydrophobicContact CB-CD1 3.87Å; D663-L666 HydrophobicContact CB-CG 3.8Å; D663-L666 PolarHBondContact O-N 3.31Å
664	A	77.5	Confident	80.7	Confident	87 Å²	87	66.9 Å²	66.9	72%	0.719	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-64.5	-20.9	-176.1	0	0	0	0	0	113.6	L666	A664-L666 VanDerWaalsContact C-N 3.29Å
665	D	84.8	Confident	80.7	Confident	91 Å²	91	68 Å²	68	49%	0.487	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-85.1	0.1	174	70.2	-43.1	0	0	0	113.6	R649 D663	R649-D665 IonicContact CZ-OD1 2.97Å; R649-D665 IonicContact CZ-OD2 3.23Å; R649-D665 IonicContact NH1-OD1 3.97Å; R649-D665 IonicContact NH1-OD2 3.2Å; R649-D665 PolarHBondContact NH1-OD2 3.37Å; R649-D665 IonicContact NH2-OD1 3.98Å; R649-D665 PolarHBondContact NH2-OD1 2.89Å; R649-D665 IonicContact NH2-OD2 3.58Å; R649-D665 PolarHBondContact NH2-OD2 3.16Å; D663-D665 WeakPolarHBondContact CB-OD1 3.38Å; D663-D665 PolarHBondContact O-N 2.96Å
666	L	87.1	Confident	81.2	Confident	2 Å²	2	68.3 Å²	68.3	1%	0.01	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-109.9	13	176.1	-60.4	-173.5	0	0	0	113.7	V639 L651 C660 D663 A664 N668 Y669 C688	V639-L666 HydrophobicContact CG1-CD2 4.46Å; V639-L666 HydrophobicContact CG2-CD1 3.95Å; V639-L666 HydrophobicContact CG2-CD2 4.03Å; L651-L666 HydrophobicContact CD1-CD1 3.86Å; L651-L666 HydrophobicContact CD2-CD1 3.99Å; C660-L666 HydrophobicContact CB-CB 4.49Å; C660-L666 VanDerWaalsContact O-CB 3.25Å; C660-L666 WeakPolarHBondContact O-CB 3.41Å; D663-L666 HydrophobicContact CB-CB 4.13Å; D663-L666 HydrophobicContact CB-CD1 3.87Å; D663-L666 HydrophobicContact CB-CG 3.8Å; D663-L666 PolarHBondContact O-N 3.31Å; A664-L666 VanDerWaalsContact C-N 3.29Å; L666-N668 PolarHBondContact O-N 3.06Å; L666-N668 VanDerWaalsContact O-N 3.15Å; L666-Y669 HydrophobicContact CB-CD2 4.08Å; L666-Y669 HydrophobicContact CB-CG 4.38Å; L666-Y669 HydrophobicContact CD2-CD1 4.13Å; L666-Y669 HydrophobicContact CD2-CD2 3.69Å; L666-Y669 HydrophobicContact CD2-CE1 4.03Å; L666-Y669 HydrophobicContact CD2-CE2 3.56Å; L666-Y669 HydrophobicContact CD2-CG 3.97Å; L666-Y669 HydrophobicContact CG-CD2 4.49Å; L666-Y669 WeakPolarHBondContact O-CB 3.41Å; L666-Y669 PolarHBondContact O-N 3.34Å; L666-C688 HydrophobicContact CD1-CB 4.46Å
667	E	82	Confident	82	Confident	107 Å²	107	75 Å²	75	50%	0.5	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-31	178.5	-81.1	-159.9	-163.1	0	0	114.1	Y669 R697	E667-Y669 VanDerWaalsContact C-N 3.33Å; E667-R697 IonicContact OE1-NH2 2.69Å; E667-R697 IonicContact OE2-CZ 3.69Å; E667-R697 IonicContact OE2-NE 3.53Å; E667-R697 PolarHBondContact OE2-NE 3.17Å; E667-R697 IonicContact OE2-NH2 3.86Å; E667-R697 PolarHBondContact OE2-NH2 3.34Å
668	N	88.5	Confident	82.5	Confident	73 Å²	73	73.5 Å²	73.5	39%	0.39	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	28.8	177.3	70	-33.4	0	0	0	112.9	L666 C691	L666-N668 PolarHBondContact O-N 3.06Å; L666-N668 VanDerWaalsContact O-N 3.15Å; N668-C691 VanDerWaalsContact C-SG 3.57Å; N668-C691 WeakPolarHBondContact O-CB 3.06Å; N668-C691 PolarHBondContact O-N 2.63Å; N668-C691 PolarHBondContact O-SG 2.88Å; N668-C691 VanDerWaalsContact O-SG 3.36Å
669	Y	91.4	Very high	83	Confident	41 Å²	41	68.2 Å²	68.2	16%	0.161	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	144.1	175.2	-67.2	-117.3	0	0	0	111	V639 L666 E667 C688 I689 K690	V639-Y669 HydrophobicContact CG1-CD1 4.47Å; V639-Y669 HydrophobicContact CG1-CE1 3.78Å; L666-Y669 HydrophobicContact CB-CD2 4.08Å; L666-Y669 HydrophobicContact CB-CG 4.38Å; L666-Y669 HydrophobicContact CD2-CD1 4.13Å; L666-Y669 HydrophobicContact CD2-CD2 3.69Å; L666-Y669 HydrophobicContact CD2-CE1 4.03Å; L666-Y669 HydrophobicContact CD2-CE2 3.56Å; L666-Y669 HydrophobicContact CD2-CG 3.97Å; L666-Y669 HydrophobicContact CG-CD2 4.49Å; L666-Y669 WeakPolarHBondContact O-CB 3.41Å; L666-Y669 PolarHBondContact O-N 3.34Å; E667-Y669 VanDerWaalsContact C-N 3.33Å; Y669-C688 HydrophobicContact CD1-CB 4.09Å; Y669-I689 CarbonylContact C-O 3.59Å; Y669-I689 WeakPolarHBondContact CA-O 3.37Å; Y669-I689 VanDerWaalsContact CB-O 3.31Å; Y669-I689 WeakPolarHBondContact CB-O 3.4Å; Y669-K690 HydrophobicContact CD1-CG 3.94Å; Y669-K690 HydrophobicContact CD2-CG 4.43Å; Y669-K690 HydrophobicContact CE1-CB 4.45Å; Y669-K690 HydrophobicContact CE1-CD 4.48Å; Y669-K690 HydrophobicContact CE1-CG 3.43Å; Y669-K690 VanDerWaalsContact CE1-CG 3.43Å; Y669-K690 HydrophobicContact CE2-CG 4.01Å; Y669-K690 HydrophobicContact CG-CG 4.41Å; Y669-K690 VanDerWaalsContact CZ-CG 3.48Å; Y669-K690 WeakPolarHBondContact OH-CE 3.04Å
670	Y	89.5	Confident	83.4	Confident	32 Å²	32	71.7 Å²	71.7	13%	0.125	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	163.5	164.9	72.4	-76.8	0	0	0	109.9	T672 C688 I689 K690 C698 F701	Y670-T672 HydrophobicContact CE2-CG2 4.29Å; Y670-C688 WeakPolarHBondContact O-CA 3.07Å; Y670-I689 HydrophobicContact CD1-CB 4.34Å; Y670-I689 VanDerWaalsContact CD1-O 3.31Å; Y670-I689 WeakPolarHBondContact CD1-O 3.35Å; Y670-I689 HydrophobicContact CE1-CB 3.72Å; Y670-I689 HydrophobicContact CE1-CG2 3.77Å; Y670-I689 PolarHBondContact N-O 2.64Å; Y670-I689 PolarHBondContact O-N 3.05Å; Y670-K690 WeakPolarHBondContact CE1-O 3.28Å; Y670-C698 VanDerWaalsContact CD1-SG 3.59Å; Y670-F701 HydrophobicContact CE1-CB 3.91Å; Y670-F701 WeakPolarHBondContact OH-CB 2.99Å
671	W	89.7	Confident	83.5	Confident	119 Å²	119	79.5 Å²	79.5	45%	0.451	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	148.8	175.1	74	-96.4	0	0	0	111.7	E657 P659 C660 A686 V687	E657-W671 PolarHBondContact O-NE1 3.04Å; E657-W671 VanDerWaalsContact O-NE1 3.09Å; P659-W671 HydrophobicContact CG-CB 3.69Å; P659-W671 HydrophobicContact CG-CD2 4.15Å; P659-W671 HydrophobicContact CG-CG 3.7Å; C660-W671 VanDerWaalsContact SG-CB 3.53Å; W671-A686 HydrophobicContact CE3-CB 3.89Å; W671-A686 HydrophobicContact CZ3-CB 4.48Å; W671-V687 WeakPolarHBondContact CA-O 3.42Å
672	T	88.2	Confident	84.3	Confident	32 Å²	32	76.9 Å²	76.9	20%	0.196	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	167.3	170.7	-171.5	0	0	0	0	111.3	Y670 A686 V687 I689	Y670-T672 HydrophobicContact CE2-CG2 4.29Å; T672-A686 CarbonylContact O-C 3.3Å; T672-A686 VanDerWaalsContact O-CA 3.29Å; T672-A686 WeakPolarHBondContact O-CA 3.45Å; T672-V687 HydrophobicContact CG2-CG2 3.87Å; T672-V687 PolarHBondContact N-O 2.76Å; T672-V687 PolarHBondContact O-N 3.34Å; T672-I689 HydrophobicContact CG2-CD1 3.44Å; T672-I689 VanDerWaalsContact CG2-CD1 3.44Å; T672-I689 HydrophobicContact CG2-CG1 4.15Å
673	V	86.9	Confident	85.2	Confident	82 Å²	82	72.2 Å²	72.2	50%	0.497	36%	0.359	S	S	.	.			trans	-71.4	147.7	171.8	-66.8	0	0	0	0	110.7	L675	V673-L675 HydrophobicContact CG2-CD2 4.27Å; V673-L675 PolarHBondContact O-N 2.79Å
674	P	84	Confident	85.8	Confident	14 Å²	14	70.5 Å²	70.5	9%	0.091	35%	0.353	C	S	.	.			trans	-66.2	106	-179.6	26.8	-35.6	0	0	0	111.6	I679 Q680 L685	P674-I679 HydrophobicContact CB-CB 4.23Å; P674-I679 HydrophobicContact CB-CG2 3.55Å; P674-Q680 HydrophobicContact CB-CG 3.92Å; P674-Q680 HydrophobicContact CG-CG 3.94Å; P674-Q680 VanDerWaalsContact O-CG 3.23Å; P674-Q680 WeakPolarHBondContact O-CG 3.47Å; P674-Q680 PolarHBondContact O-NE2 3.24Å; P674-L685 WeakPolarHBondContact CD-O 3.35Å
675	L	75.6	Confident	86.3	Confident	123 Å²	123	70.3 Å²	70.3	64%	0.644	34%	0.339	S	S	*	.			trans	-73.7	-34.2	-171.5	-62.4	176	0	0	0	114.3	V673	V673-L675 HydrophobicContact CG2-CD2 4.27Å; V673-L675 PolarHBondContact O-N 2.79Å
676	S	82.8	Confident	86.5	Confident	38 Å²	38	66.3 Å²	66.3	27%	0.266	32%	0.319	S	S	.	.	S	Bend	trans	-100.5	147.3	-176.6	83.4	0	0	0	0	112.9	K678 I679 Q680	S676-K678 PolarHBondContact O-N 3.43Å; S676-K678 VanDerWaalsContact O-N 3.16Å; S676-I679 PolarHBondContact O-N 3.04Å; S676-I679 WeakPolarHBondContact OG-CD1 3.11Å; S676-I679 VanDerWaalsContact OG-CG1 3.29Å; S676-I679 WeakPolarHBondContact OG-CG1 3.45Å; S676-I679 PolarHBondContact OG-N 2.81Å; S676-Q680 WeakPolarHBondContact O-CG 3.36Å; S676-Q680 PolarHBondContact O-N 3.17Å
677	R	82.5	Confident	86.8	Confident	206 Å²	206	66.3 Å²	66.3	78%	0.777	32%	0.319	S	S	*	.	H	α-helix	trans	-57.2	-29.2	175.2	-70.8	-174	-177.9	-177.9	2.1	113.1	K681	R677-K681 WeakPolarHBondContact O-CG 3.35Å; R677-K681 PolarHBondContact O-N 3.34Å
678	K	83.3	Confident	87.3	Confident	118 Å²	118	61.3 Å²	61.3	51%	0.513	30%	0.296	S	S	.	.	H	α-helix	trans	-64.6	-50.5	174.6	-171.5	-168.3	-178.9	-160.7	0	110.1	Q645 S676 K681	Q645-K678 WeakPolarHBondContact O-CE 3.05Å; Q645-K678 PolarHBondContact O-NZ 3.44Å; S676-K678 PolarHBondContact O-N 3.43Å; S676-K678 VanDerWaalsContact O-N 3.16Å; K678-K681 PolarHBondContact O-N 2.86Å
679	I	86.9	Confident	87.4	Confident	10 Å²	10	58.2 Å²	58.2	5%	0.051	28%	0.279	C	S	.	.	H	α-helix	trans	-68.4	-38.9	179.9	-61.7	166.4	0	0	0	110.9	L640 I647 P674 S676 K681 S682 V683 V687	L640-I679 HydrophobicContact CD1-CD1 3.61Å; L640-I679 HydrophobicContact CD1-CG1 3.95Å; L640-I679 HydrophobicContact CD2-CD1 3.75Å; L640-I679 HydrophobicContact CG-CD1 4.37Å; I647-I679 HydrophobicContact CD1-CG2 4.31Å; P674-I679 HydrophobicContact CB-CB 4.23Å; P674-I679 HydrophobicContact CB-CG2 3.55Å; S676-I679 PolarHBondContact O-N 3.04Å; S676-I679 WeakPolarHBondContact OG-CD1 3.11Å; S676-I679 VanDerWaalsContact OG-CG1 3.29Å; S676-I679 WeakPolarHBondContact OG-CG1 3.45Å; S676-I679 PolarHBondContact OG-N 2.81Å; I679-K681 PolarHBondContact O-N 2.73Å; I679-S682 CarbonylContact O-C 3.48Å; I679-S682 WeakPolarHBondContact O-CA 3.45Å; I679-S682 PolarHBondContact O-N 2.85Å; I679-V683 PolarHBondContact O-N 2.04Å; I679-V687 HydrophobicContact CG2-CG1 3.76Å
680	Q	84.8	Confident	87.4	Confident	84 Å²	84	60.9 Å²	60.9	39%	0.393	29%	0.291	S	S	.	.	H	α-helix	trans	-59.6	-30.4	176.5	-72	169.8	3.8	0	0	113.1	R634 P674 S676 S682 V683	R634-Q680 VanDerWaalsContact CZ-O 3.31Å; R634-Q680 PolarHBondContact NE-O 2.9Å; R634-Q680 PolarHBondContact NH2-O 3.47Å; P674-Q680 HydrophobicContact CB-CG 3.92Å; P674-Q680 HydrophobicContact CG-CG 3.94Å; P674-Q680 VanDerWaalsContact O-CG 3.23Å; P674-Q680 WeakPolarHBondContact O-CG 3.47Å; P674-Q680 PolarHBondContact O-NE2 3.24Å; S676-Q680 WeakPolarHBondContact O-CG 3.36Å; S676-Q680 PolarHBondContact O-N 3.17Å; Q680-S682 VanDerWaalsContact C-N 3.34Å; Q680-V683 CarbonylContact C-O 3.54Å
681	K	87	Confident	87.5	Confident	167 Å²	167	59.8 Å²	59.8	73%	0.726	29%	0.289	S	S	*	.	H	α-helix	trans	-69.8	-31.1	171.7	-73	179.8	178.4	-173.5	0	112.5	R634 R677 K678 I679	R634-K681 WeakPolarHBondContact CD-O 3.48Å; R634-K681 WeakPolarHBondContact CG-O 3.35Å; R634-K681 PolarHBondContact NE-O 3.22Å; R677-K681 WeakPolarHBondContact O-CG 3.35Å; R677-K681 PolarHBondContact O-N 3.34Å; K678-K681 PolarHBondContact O-N 2.86Å; I679-K681 PolarHBondContact O-N 2.73Å
682	S	90.6	Very high	87.5	Confident	30 Å²	30	56.6 Å²	56.6	21%	0.21	28%	0.278	C	S	.	.	H	α-helix	trans	-92.2	-26.2	-176.8	-58.5	0	0	0	0	114.8	R634 C635 I679 Q680	R634-S682 CarbonylContact C-O 3.27Å; R634-S682 WeakPolarHBondContact CA-O 3.12Å; R634-S682 VanDerWaalsContact CG-C 3.49Å; R634-S682 VanDerWaalsContact CG-O 3.3Å; R634-S682 WeakPolarHBondContact CG-O 3.47Å; C635-S682 PolarHBondContact N-O 2.82Å; I679-S682 CarbonylContact O-C 3.48Å; I679-S682 WeakPolarHBondContact O-CA 3.45Å; I679-S682 PolarHBondContact O-N 2.85Å; Q680-S682 VanDerWaalsContact C-N 3.34Å
683	V	91.1	Very high	87.7	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	141.5	-179.6	-177.2	0	0	0	0	110.4	R634 C635 K636 I647 I679 Q680 A686 V687	R634-V683 PolarHBondContact NH2-O 3.45Å; C635-V683 HydrophobicContact CB-CG2 4.32Å; C635-V683 CarbonylContact O-C 3.4Å; C635-V683 WeakPolarHBondContact O-CA 3.45Å; K636-V683 WeakPolarHBondContact O-CG1 3.29Å; I647-V683 HydrophobicContact CD1-CG2 3.45Å; I647-V683 VanDerWaalsContact CD1-CG2 3.45Å; I647-V683 HydrophobicContact CG1-CG2 3.6Å; I647-V683 HydrophobicContact CG2-CG2 4.25Å; I679-V683 PolarHBondContact O-N 2.04Å; Q680-V683 CarbonylContact C-O 3.54Å; V683-A686 WeakPolarHBondContact CG1-O 3.27Å; V683-V687 HydrophobicContact CB-CG1 4.05Å; V683-V687 HydrophobicContact CG1-CG1 4Å; V683-V687 HydrophobicContact CG2-CG1 3.92Å
684	A	88.2	Confident	87.9	Confident	24 Å²	24	56.1 Å²	56.1	20%	0.198	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-42.2	-175.9	0	0	0	0	0	114.9	Y618 C635	Y618-A684 HydrophobicContact CE1-CB 4.33Å; Y618-A684 HydrophobicContact CE2-CB 4.21Å; Y618-A684 WeakPolarHBondContact OH-CB 3.41Å; C635-A684 PolarHBondContact O-N 2.03Å
685	L	87.9	Confident	88.2	Confident	84 Å²	84	55.9 Å²	55.9	44%	0.44	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	-62.1	-169.8	-63.1	-175.8	0	0	0	114.4	K636 Y637 P674	K636-L685 HydrophobicContact CD-CD1 4.2Å; K636-L685 HydrophobicContact CG-CD1 3.81Å; K636-L685 HydrophobicContact CG-CG 4.16Å; K636-L685 PolarHBondContact O-N 3.41Å; Y637-L685 HydrophobicContact CD1-CB 4.25Å; Y637-L685 HydrophobicContact CE1-CB 3.82Å; Y637-L685 HydrophobicContact CE1-CD1 4.08Å; P674-L685 WeakPolarHBondContact CD-O 3.35Å
686	A	89.5	Confident	88.9	Confident	7 Å²	7	54.8 Å²	54.8	6%	0.058	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	149	-175.6	0	0	0	0	0	113	Y637 G638 P659 W671 T672 V683	Y637-A686 WeakPolarHBondContact CA-O 3.13Å; Y637-A686 HydrophobicContact CD1-CB 4.03Å; Y637-A686 HydrophobicContact CE1-CB 4.37Å; G638-A686 PolarHBondContact N-O 2.94Å; P659-A686 HydrophobicContact CG-CB 4.24Å; W671-A686 HydrophobicContact CE3-CB 3.89Å; W671-A686 HydrophobicContact CZ3-CB 4.48Å; T672-A686 CarbonylContact O-C 3.3Å; T672-A686 VanDerWaalsContact O-CA 3.29Å; T672-A686 WeakPolarHBondContact O-CA 3.45Å; V683-A686 WeakPolarHBondContact CG1-O 3.27Å
687	V	91.9	Very high	89.2	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.012	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	142.9	174.8	-70.6	0	0	0	0	111.2	G638 L640 I647 W671 T672 I679 V683 I689	G638-V687 CarbonylContact O-C 3.55Å; G638-V687 VanDerWaalsContact O-CA 3.23Å; G638-V687 WeakPolarHBondContact O-CA 3.34Å; L640-V687 HydrophobicContact CB-CB 4.16Å; I647-V687 HydrophobicContact CD1-CG1 4.03Å; W671-V687 WeakPolarHBondContact CA-O 3.42Å; T672-V687 HydrophobicContact CG2-CG2 3.87Å; T672-V687 PolarHBondContact N-O 2.76Å; T672-V687 PolarHBondContact O-N 3.34Å; I679-V687 HydrophobicContact CG2-CG1 3.76Å; V683-V687 HydrophobicContact CB-CG1 4.05Å; V683-V687 HydrophobicContact CG1-CG1 4Å; V683-V687 HydrophobicContact CG2-CG1 3.92Å; V687-I689 HydrophobicContact CG2-CD1 4.19Å; V687-I689 HydrophobicContact CG2-CG1 4.18Å
688	C	92.5	Very high	89.6	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.014	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	127.8	169.2	-63.8	0	0	0	0	109.9	G638 V639 L640 L651 C660 L666 Y669 Y670	G638-C688 PolarHBondContact O-N 3.17Å; V639-C688 HydrophobicContact CG2-CB 4.45Å; L640-C688 PolarHBondContact N-O 3.33Å; L651-C688 HydrophobicContact CD1-CB 4.42Å; L651-C688 WeakPolarHBondContact CD1-SG 3.32Å; C660-C688 WeakPolarHBondContact CA-SG 3.49Å; C660-C688 HydrophobicContact CB-CB 4.03Å; C660-C688 WeakPolarHBondContact CB-SG 3.36Å; C660-C688 WeakPolarHBondContact SG-CA 3.29Å; C660-C688 WeakPolarHBondContact SG-CB 3.27Å; C660-C688 CovalentContact SG-SG 2.03Å; C660-C688 PolarHBondContact SG-SG 2.94Å; L666-C688 HydrophobicContact CD1-CB 4.46Å; Y669-C688 HydrophobicContact CD1-CB 4.09Å; Y670-C688 WeakPolarHBondContact O-CA 3.07Å
689	I	90.7	Very high	89.8	Confident	8 Å²	8	50.7 Å²	50.7	4%	0.041	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	142.6	-179.5	-55.7	-173.9	0	0	0	108.6	L640 E642 Y669 Y670 T672 V687	L640-I689 HydrophobicContact CB-CG1 4.29Å; L640-I689 HydrophobicContact CD2-CD1 3.83Å; L640-I689 HydrophobicContact CD2-CG1 4.02Å; E642-I689 HydrophobicContact CG-CG2 3.96Å; E642-I689 WeakPolarHBondContact OE1-CG2 3.47Å; E642-I689 WeakPolarHBondContact OE2-CG2 3.35Å; Y669-I689 CarbonylContact C-O 3.59Å; Y669-I689 WeakPolarHBondContact CA-O 3.37Å; Y669-I689 VanDerWaalsContact CB-O 3.31Å; Y669-I689 WeakPolarHBondContact CB-O 3.4Å; Y670-I689 HydrophobicContact CD1-CB 4.34Å; Y670-I689 VanDerWaalsContact CD1-O 3.31Å; Y670-I689 WeakPolarHBondContact CD1-O 3.35Å; Y670-I689 HydrophobicContact CE1-CB 3.72Å; Y670-I689 HydrophobicContact CE1-CG2 3.77Å; Y670-I689 PolarHBondContact N-O 2.64Å; Y670-I689 PolarHBondContact O-N 3.05Å; T672-I689 HydrophobicContact CG2-CD1 3.44Å; T672-I689 VanDerWaalsContact CG2-CD1 3.44Å; T672-I689 HydrophobicContact CG2-CG1 4.15Å; V687-I689 HydrophobicContact CG2-CD1 4.19Å; V687-I689 HydrophobicContact CG2-CG1 4.18Å
690	K	91.2	Very high	89.7	Confident	96 Å²	96	50.7 Å²	50.7	42%	0.417	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	143.4	180	-70.8	175.8	-176.8	163.1	0	111.1	Y669 Y670	Y669-K690 HydrophobicContact CD1-CG 3.94Å; Y669-K690 HydrophobicContact CD2-CG 4.43Å; Y669-K690 HydrophobicContact CE1-CB 4.45Å; Y669-K690 HydrophobicContact CE1-CD 4.48Å; Y669-K690 HydrophobicContact CE1-CG 3.43Å; Y669-K690 VanDerWaalsContact CE1-CG 3.43Å; Y669-K690 HydrophobicContact CE2-CG 4.01Å; Y669-K690 HydrophobicContact CG-CG 4.41Å; Y669-K690 VanDerWaalsContact CZ-CG 3.48Å; Y669-K690 WeakPolarHBondContact OH-CE 3.04Å; Y670-K690 WeakPolarHBondContact CE1-O 3.28Å
691	C	91.8	Very high	89.8	Confident	10 Å²	10	51.2 Å²	51.2	7%	0.068	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-62.5	158.2	166	-65.4	0	0	0	0	111.3	N668 C695 C698	N668-C691 VanDerWaalsContact C-SG 3.57Å; N668-C691 WeakPolarHBondContact O-CB 3.06Å; N668-C691 PolarHBondContact O-N 2.63Å; N668-C691 PolarHBondContact O-SG 2.88Å; N668-C691 VanDerWaalsContact O-SG 3.36Å; C691-C695 HydrophobicContact CB-CB 4.14Å; C691-C698 WeakPolarHBondContact CA-SG 3.14Å; C691-C698 HydrophobicContact CB-CB 3.84Å; C691-C698 WeakPolarHBondContact CB-SG 3.4Å; C691-C698 WeakPolarHBondContact SG-CB 3.29Å; C691-C698 PolarHBondContact SG-N 3.01Å; C691-C698 CovalentContact SG-SG 2.03Å; C691-C698 PolarHBondContact SG-SG 3.19Å
692	H	91	Very high	89.9	Confident	51 Å²	51	43.7 Å²	43.7	24%	0.236	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-56.2	140.5	173.7	-171	-83	0	0	0	110.1	V694 C695 F701 G702 T703	H692-V694 WeakPolarHBondContact ND1-CG2 3.25Å; H692-V694 PolarHBondContact O-N 2.96Å; H692-C695 WeakPolarHBondContact O-CB 3.06Å; H692-C695 PolarHBondContact O-N 3.1Å; H692-F701 HydrophobicContact CB-CE2 4.34Å; H692-F701 AromaticContact CD2-CE1 3.77Å; H692-F701 AromaticContact CD2-CZ 3.59Å; H692-G702 WeakPolarHBondContact CB-O 3.38Å; H692-T703 VanDerWaalsContact CE1-CG2 3.44Å; H692-T703 WeakPolarHBondContact CE1-CG2 3.26Å; H692-T703 WeakPolarHBondContact ND1-CG2 3.4Å
693	P	91.1	Very high	89.9	Confident	93 Å²	93	44.3 Å²	44.3	60%	0.604	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-2.7	-172.5	-29.1	36	0	0	0	118
694	V	92.2	Very high	89.7	Confident	11 Å²	11	45.1 Å²	45.1	7%	0.067	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-3.8	176.7	-48	0	0	0	0	112.9	H692 T703 L713 C726 L728	H692-V694 WeakPolarHBondContact ND1-CG2 3.25Å; H692-V694 PolarHBondContact O-N 2.96Å; V694-T703 HydrophobicContact CG2-CG2 3.79Å; V694-L713 WeakPolarHBondContact O-CB 3.31Å; V694-L713 PolarHBondContact O-N 3Å; V694-C726 HydrophobicContact CB-CB 4.34Å; V694-C726 HydrophobicContact CG2-CB 3.69Å; V694-C726 WeakPolarHBondContact CG2-O 3.13Å; V694-L728 HydrophobicContact CB-CD2 4.33Å; V694-L728 HydrophobicContact CG1-CD1 4.36Å; V694-L728 HydrophobicContact CG1-CD2 3.96Å; V694-L728 HydrophobicContact CG1-CG 3.75Å
695	C	90.4	Very high	89.4	Confident	9 Å²	9	51.7 Å²	51.7	6%	0.061	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	136.7	-177.4	-43.4	0	0	0	0	110.2	C691 H692 G702 C710 E711	C691-C695 HydrophobicContact CB-CB 4.14Å; H692-C695 WeakPolarHBondContact O-CB 3.06Å; H692-C695 PolarHBondContact O-N 3.1Å; C695-G702 PolarHBondContact SG-O 2.98Å; C695-C710 HydrophobicContact CB-CB 4.04Å; C695-C710 WeakPolarHBondContact CB-SG 3.14Å; C695-C710 WeakPolarHBondContact SG-CB 3.28Å; C695-C710 CovalentContact SG-SG 2.03Å; C695-C710 PolarHBondContact SG-SG 2.9Å; C695-E711 CarbonylContact C-O 3.51Å; C695-E711 WeakPolarHBondContact CA-O 3.14Å
696	R	89.2	Confident	89.1	Confident	101 Å²	101	50.4 Å²	50.4	38%	0.381	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	-42.5	167.3	-173.2	173.2	74.8	-177.6	5.4	111.1	E711 L713	R696-E711 IonicContact CZ-OE1 2.71Å; R696-E711 IonicContact CZ-OE2 2.97Å; R696-E711 VanDerWaalsContact CZ-OE2 3.25Å; R696-E711 PolarHBondContact N-O 3Å; R696-E711 IonicContact NE-OE1 2.83Å; R696-E711 IonicContact NE-OE2 3.62Å; R696-E711 PolarHBondContact NE-OE2 3.08Å; R696-E711 IonicContact NH2-OE1 3.91Å; R696-E711 PolarHBondContact NH2-OE1 2.9Å; R696-E711 IonicContact NH2-OE2 2.76Å; R696-E711 PolarHBondContact NH2-OE2 2.93Å; R696-L713 HydrophobicContact CB-CD1 4.45Å
697	R	89.4	Confident	88.6	Confident	112 Å²	112	56.3 Å²	56.3	42%	0.423	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	160.4	178	-61.4	-174.2	179.9	148.6	-4.5	109.5	E667 E711	E667-R697 IonicContact OE1-NH2 2.69Å; E667-R697 IonicContact OE2-CZ 3.69Å; E667-R697 IonicContact OE2-NE 3.53Å; E667-R697 PolarHBondContact OE2-NE 3.17Å; E667-R697 IonicContact OE2-NH2 3.86Å; E667-R697 PolarHBondContact OE2-NH2 3.34Å; R697-E711 HydrophobicContact CB-CB 4.47Å; R697-E711 PolarHBondContact O-N 2.03Å
698	C	90.4	Very high	88.4	Confident	22 Å²	22	60.5 Å²	60.5	15%	0.149	29%	0.288	C	S	.	.			trans	-160.4	167.1	-179.7	69.8	0	0	0	0	111	Y670 C691 G700 Y708	Y670-C698 VanDerWaalsContact CD1-SG 3.59Å; C691-C698 WeakPolarHBondContact CA-SG 3.14Å; C691-C698 HydrophobicContact CB-CB 3.84Å; C691-C698 WeakPolarHBondContact CB-SG 3.4Å; C691-C698 WeakPolarHBondContact SG-CB 3.29Å; C691-C698 PolarHBondContact SG-N 3.01Å; C691-C698 CovalentContact SG-SG 2.03Å; C691-C698 PolarHBondContact SG-SG 3.19Å; C698-G700 WeakPolarHBondContact CB-O 3.34Å; C698-G700 PolarHBondContact SG-O 3.19Å; C698-G700 VanDerWaalsContact SG-O 3.32Å; C698-Y708 WeakPolarHBondContact CB-O 3.42Å
699	Y	87.4	Confident	88.1	Confident	142 Å²	142	60.9 Å²	60.9	56%	0.557	29%	0.292	S	S	*	.	S	Bend	trans	-114.6	1.5	163.6	59.3	-108.4	0	0	0	112.9	Y705 A706 H707 Y708 G709	Y699-Y705 PolarHBondContact OH-O 3.18Å; Y699-A706 PolarHBondContact OH-O 2.95Å; Y699-A706 VanDerWaalsContact OH-O 3.06Å; Y699-H707 VanDerWaalsContact CE2-O 3.26Å; Y699-H707 WeakPolarHBondContact CE2-O 3.35Å; Y699-Y708 VanDerWaalsContact CZ-C 3.48Å; Y699-Y708 PolarHBondContact N-O 2.81Å; Y699-Y708 PolarHBondContact OH-N 3.19Å; Y699-G709 PolarHBondContact OH-N 3.05Å
700	G	85.9	Confident	88.1	Confident	10 Å²	10	60.6 Å²	60.6	10%	0.103	29%	0.291	C	S	.	.	S	Bend	trans	-160.5	172.9	173.8	0	0	0	0	0	112.1	C698 G702 Y708	C698-G700 WeakPolarHBondContact CB-O 3.34Å; C698-G700 PolarHBondContact SG-O 3.19Å; C698-G700 VanDerWaalsContact SG-O 3.32Å; G700-G702 PolarHBondContact O-N 3.32Å; G700-Y708 PolarHBondContact N-O 2.82Å
701	F	87.6	Confident	88	Confident	95 Å²	95	59.2 Å²	59.2	42%	0.417	29%	0.286	S	S	.	.	S	Bend	trans	-86.9	107.5	177.7	-172.1	-86.1	0	0	0	111.8	Y670 H692 Y708	Y670-F701 HydrophobicContact CE1-CB 3.91Å; Y670-F701 WeakPolarHBondContact OH-CB 2.99Å; H692-F701 HydrophobicContact CB-CE2 4.34Å; H692-F701 AromaticContact CD2-CE1 3.77Å; H692-F701 AromaticContact CD2-CZ 3.59Å; F701-Y708 VanDerWaalsContact C-CD1 3.49Å; F701-Y708 VanDerWaalsContact O-CD1 3.26Å; F701-Y708 WeakPolarHBondContact O-CD1 3.34Å; F701-Y708 WeakPolarHBondContact O-CE1 3.23Å
702	G	87.7	Confident	87.9	Confident	8 Å²	8	60 Å²	60	8%	0.082	29%	0.291	C	S	.	.	S	Bend	trans	173.7	-177.2	171.6	0	0	0	0	0	111.5	H692 C695 G700 Y708	H692-G702 WeakPolarHBondContact CB-O 3.38Å; C695-G702 PolarHBondContact SG-O 2.98Å; G700-G702 PolarHBondContact O-N 3.32Å; G702-Y708 VanDerWaalsContact CA-CD2 3.48Å
703	T	90.1	Very high	87.8	Confident	43 Å²	43	62 Å²	62	26%	0.264	30%	0.303	S	S	.	.	S	Bend	trans	-105.6	-13	-168.8	50	0	0	0	0	114.6	H692 V694 C710 T725 C726	H692-T703 VanDerWaalsContact CE1-CG2 3.44Å; H692-T703 WeakPolarHBondContact CE1-CG2 3.26Å; H692-T703 WeakPolarHBondContact ND1-CG2 3.4Å; V694-T703 HydrophobicContact CG2-CG2 3.79Å; T703-C710 PolarHBondContact O-SG 3.46Å; T703-T725 VanDerWaalsContact OG1-CG2 3.26Å; T703-T725 WeakPolarHBondContact OG1-CG2 3.27Å; T703-C726 WeakPolarHBondContact O-CB 3.1Å; T703-C726 PolarHBondContact O-N 3.43Å
704	D	87.1	Confident	87.6	Confident	17 Å²	17	62.8 Å²	62.8	9%	0.091	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-100.1	154.1	-179.5	79.9	92	0	0	0	113.5	A706 H707 Y708 C710 T724	D704-A706 WeakPolarHBondContact OD1-CA 3.48Å; D704-A706 PolarHBondContact OD1-N 3.32Å; D704-H707 IonicContact OD1-CE1 3.77Å; D704-H707 IonicContact OD1-CG 3.25Å; D704-H707 PolarHBondContact OD1-N 2.92Å; D704-H707 IonicContact OD1-ND1 3.32Å; D704-H707 PolarHBondContact OD1-ND1 2.86Å; D704-H707 IonicContact OD2-CG 2.68Å; D704-H707 IonicContact OD2-ND1 3.41Å; D704-H707 PolarHBondContact OD2-ND1 3.4Å; D704-Y708 PolarHBondContact O-N 3.02Å; D704-Y708 WeakPolarHBondContact OD2-CD2 3.44Å; D704-Y708 WeakPolarHBondContact OD2-CE2 3.46Å; D704-C710 WeakPolarHBondContact O-CB 3.41Å; D704-C710 PolarHBondContact O-N 2.84Å; D704-T724 WeakPolarHBondContact CA-O 3.47Å
705	Y	83.6	Confident	87.4	Confident	162 Å²	162	65.4 Å²	65.4	64%	0.635	31%	0.306	S	S	*	.	H	α-helix	trans	-73.4	-32.4	-179.2	-178.4	-97.6	0	0	0	113	Y699 G709 T724	Y699-Y705 PolarHBondContact OH-O 3.18Å; Y705-G709 VanDerWaalsContact O-CA 3.28Å; Y705-G709 WeakPolarHBondContact O-CA 3.45Å; Y705-G709 PolarHBondContact O-N 3.25Å; Y705-G709 VanDerWaalsContact O-N 3.11Å; Y705-T724 PolarHBondContact N-O 3.34Å
706	A	80.6	Confident	87.3	Confident	58 Å²	58	66 Å²	66	48%	0.479	31%	0.31	S	S	.	.	H	α-helix	trans	-76.6	-32.9	-168.5	0	0	0	0	0	113.7	Y699 D704	Y699-A706 PolarHBondContact OH-O 2.95Å; Y699-A706 VanDerWaalsContact OH-O 3.06Å; D704-A706 WeakPolarHBondContact OD1-CA 3.48Å; D704-A706 PolarHBondContact OD1-N 3.32Å
707	H	79.6	Confident	87.2	Confident	131 Å²	131	62.7 Å²	62.7	61%	0.606	30%	0.3	S	S	*	.	H	α-helix	trans	-107.8	-21.7	-177.4	-55.4	87.1	0	0	0	114.1	Y699 D704	Y699-H707 VanDerWaalsContact CE2-O 3.26Å; Y699-H707 WeakPolarHBondContact CE2-O 3.35Å; D704-H707 IonicContact OD1-CE1 3.77Å; D704-H707 IonicContact OD1-CG 3.25Å; D704-H707 PolarHBondContact OD1-N 2.92Å; D704-H707 IonicContact OD1-ND1 3.32Å; D704-H707 PolarHBondContact OD1-ND1 2.86Å; D704-H707 IonicContact OD2-CG 2.68Å; D704-H707 IonicContact OD2-ND1 3.41Å; D704-H707 PolarHBondContact OD2-ND1 3.4Å
708	Y	87	Confident	86.8	Confident	90 Å²	90	64.1 Å²	64.1	35%	0.353	31%	0.305	S	S	.	.	H	α-helix	trans	-128.4	-6.7	-174.6	-52	-73.6	0	0	0	113.9	C698 Y699 G700 F701 G702 D704 C710	C698-Y708 WeakPolarHBondContact CB-O 3.42Å; Y699-Y708 VanDerWaalsContact CZ-C 3.48Å; Y699-Y708 PolarHBondContact N-O 2.81Å; Y699-Y708 PolarHBondContact OH-N 3.19Å; G700-Y708 PolarHBondContact N-O 2.82Å; F701-Y708 VanDerWaalsContact C-CD1 3.49Å; F701-Y708 VanDerWaalsContact O-CD1 3.26Å; F701-Y708 WeakPolarHBondContact O-CD1 3.34Å; F701-Y708 WeakPolarHBondContact O-CE1 3.23Å; G702-Y708 VanDerWaalsContact CA-CD2 3.48Å; D704-Y708 PolarHBondContact O-N 3.02Å; D704-Y708 WeakPolarHBondContact OD2-CD2 3.44Å; D704-Y708 WeakPolarHBondContact OD2-CE2 3.46Å; Y708-C710 PolarHBondContact O-N 3.24Å
709	G	86.4	Confident	85.8	Confident	10 Å²	10	69.1 Å²	69.1	10%	0.103	33%	0.327	C	S	.	.			trans	65.1	24.4	-177.2	0	0	0	0	0	113.3	Y699 Y705 E711	Y699-G709 PolarHBondContact OH-N 3.05Å; Y705-G709 VanDerWaalsContact O-CA 3.28Å; Y705-G709 WeakPolarHBondContact O-CA 3.45Å; Y705-G709 PolarHBondContact O-N 3.25Å; Y705-G709 VanDerWaalsContact O-N 3.11Å; G709-E711 PolarHBondContact O-N 2.75Å
710	C	89.5	Confident	84.7	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.007	32%	0.32	C	S	.	.			trans	-60.5	105.7	-179.9	-176.3	0	0	0	0	109.7	C695 T703 D704 Y708 C726	C695-C710 HydrophobicContact CB-CB 4.04Å; C695-C710 WeakPolarHBondContact CB-SG 3.14Å; C695-C710 WeakPolarHBondContact SG-CB 3.28Å; C695-C710 CovalentContact SG-SG 2.03Å; C695-C710 PolarHBondContact SG-SG 2.9Å; T703-C710 PolarHBondContact O-SG 3.46Å; D704-C710 WeakPolarHBondContact O-CB 3.41Å; D704-C710 PolarHBondContact O-N 2.84Å; Y708-C710 PolarHBondContact O-N 3.24Å; C710-C726 PolarHBondContact O-SG 2.68Å; C710-C726 VanDerWaalsContact O-SG 3.37Å; C710-C726 PolarHBondContact SG-SG 3.02Å
711	E	90.1	Very high	83.6	Confident	67 Å²	67	69 Å²	69	31%	0.313	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	111.5	171.8	-176	178	-136.2	0	0	108	C695 R696 R697 G709 L713	C695-E711 CarbonylContact C-O 3.51Å; C695-E711 WeakPolarHBondContact CA-O 3.14Å; R696-E711 IonicContact CZ-OE1 2.71Å; R696-E711 IonicContact CZ-OE2 2.97Å; R696-E711 VanDerWaalsContact CZ-OE2 3.25Å; R696-E711 PolarHBondContact N-O 3Å; R696-E711 IonicContact NE-OE1 2.83Å; R696-E711 IonicContact NE-OE2 3.62Å; R696-E711 PolarHBondContact NE-OE2 3.08Å; R696-E711 IonicContact NH2-OE1 3.91Å; R696-E711 PolarHBondContact NH2-OE1 2.9Å; R696-E711 IonicContact NH2-OE2 2.76Å; R696-E711 PolarHBondContact NH2-OE2 2.93Å; R697-E711 HydrophobicContact CB-CB 4.47Å; R697-E711 PolarHBondContact O-N 2.03Å; G709-E711 PolarHBondContact O-N 2.75Å; E711-L713 PolarHBondContact O-N 3.17Å
712	C	89.6	Confident	82.6	Confident	27 Å²	27	71.2 Å²	71.2	18%	0.182	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	131.9	-167.6	-54.7	0	0	0	0	113.5	C726 A745	C712-C726 WeakPolarHBondContact CA-SG 3.41Å; C712-C726 HydrophobicContact CB-CB 3.66Å; C712-C726 WeakPolarHBondContact CB-SG 3.34Å; C712-C726 PolarHBondContact N-SG 2.9Å; C712-C726 VanDerWaalsContact N-SG 3.41Å; C712-C726 WeakPolarHBondContact SG-CA 3.32Å; C712-C726 WeakPolarHBondContact SG-CB 3.45Å; C712-C726 CovalentContact SG-SG 2.03Å; C712-C726 PolarHBondContact SG-SG 2.79Å; C712-A745 HydrophobicContact CB-CB 3.66Å
713	L	88.3	Confident	81.6	Confident	93 Å²	93	72 Å²	72	49%	0.487	37%	0.365	S	S	.	.	S	Bend	trans	-76.7	-30.3	177.9	-176	66.5	0	0	0	113.2	V694 R696 E711	V694-L713 WeakPolarHBondContact O-CB 3.31Å; V694-L713 PolarHBondContact O-N 3Å; R696-L713 HydrophobicContact CB-CD1 4.45Å; E711-L713 PolarHBondContact O-N 3.17Å
714	K	86.5	Confident	81.2	Confident	110 Å²	110	72.7 Å²	72.7	48%	0.478	37%	0.37	S	S	.	.	S	Bend	trans	-133.2	-63.5	-177.2	-74.3	-168	174.9	-173.4	0	113.5	L728 A745 G746	K714-L728 HydrophobicContact CD-CD2 4.32Å; K714-L728 WeakPolarHBondContact CD-O 3.22Å; K714-A745 CarbonylContact O-C 3.55Å; K714-A745 VanDerWaalsContact O-CA 3.28Å; K714-A745 WeakPolarHBondContact O-CA 3.4Å; K714-A745 WeakPolarHBondContact O-CB 3.49Å; K714-G746 PolarHBondContact O-N 3.2Å
715	Y	89.2	Confident	81.3	Confident	66 Å²	66	72.5 Å²	72.5	26%	0.259	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	149.6	-174.7	-53.4	-74.2	0	0	0	113	C726 V727 L728 I736 G746	Y715-C726 WeakPolarHBondContact O-CA 3.34Å; Y715-V727 PolarHBondContact N-O 3.42Å; Y715-V727 PolarHBondContact O-N 2.92Å; Y715-L728 WeakPolarHBondContact CD2-O 3.5Å; Y715-L728 WeakPolarHBondContact CE2-O 3.47Å; Y715-I736 HydrophobicContact CD1-CG2 4.41Å; Y715-I736 HydrophobicContact CE1-CD1 3.87Å; Y715-I736 HydrophobicContact CE1-CG1 4.24Å; Y715-I736 HydrophobicContact CE1-CG2 3.99Å; Y715-G746 CarbonylContact C-O 3.12Å; Y715-G746 WeakPolarHBondContact CA-O 3.35Å; Y715-G746 WeakPolarHBondContact CB-O 3.43Å
716	S	88.8	Confident	81.6	Confident	21 Å²	21	65 Å²	65	15%	0.147	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	135.4	169.4	54.7	0	0	0	0	110.6	G746 C748	S716-G746 PolarHBondContact N-O 3.14Å; S716-G746 PolarHBondContact OG-O 3.45Å; S716-C748 PolarHBondContact O-N 2.9Å
717	L	86.9	Confident	82.1	Confident	31 Å²	31	63.6 Å²	63.6	16%	0.162	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	125.8	175.6	179.1	66.4	0	0	0	109	T724 T725 V727 P731 T734 C748	L717-T724 WeakPolarHBondContact O-CA 3.43Å; L717-T725 PolarHBondContact N-O 3Å; L717-T725 PolarHBondContact O-N 3.26Å; L717-V727 HydrophobicContact CB-CG1 4.22Å; L717-V727 HydrophobicContact CB-CG2 4.3Å; L717-V727 HydrophobicContact CD2-CG1 4.28Å; L717-P731 HydrophobicContact CD1-CG 4.07Å; L717-P731 HydrophobicContact CD2-CG 3.89Å; L717-T734 HydrophobicContact CD1-CG2 4.3Å; L717-C748 HydrophobicContact CD1-CB 3.79Å
718	R	79.9	Confident	82.4	Confident	142 Å²	142	61 Å²	61	54%	0.536	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	103.8	179.7	-170.2	176	-172.2	174.3	6.6	110.8	S720 S721	R718-S720 VanDerWaalsContact CG-O 3.24Å; R718-S720 WeakPolarHBondContact CG-O 3.24Å; R718-S720 PolarHBondContact NE-O 3.08Å; R718-S721 PolarHBondContact NH2-O 3.17Å
719	E	70	Confident	82.5	Confident	128 Å²	128	64.6 Å²	64.6	60%	0.598	34%	0.336	S	S	*	.			trans	-85	-26.4	-179.7	-70.5	178.1	-152.8	0	0	113	S723 T725	E719-S723 PolarHBondContact N-O 3.28Å; E719-T725 VanDerWaalsContact OE1-CB 3.27Å; E719-T725 WeakPolarHBondContact OE1-CB 3.23Å; E719-T725 PolarHBondContact OE1-OG1 3.2Å
720	S	65.2	Low	82.6	Confident	59 Å²	59	65.6 Å²	65.6	41%	0.413	34%	0.341	S	S	.	.	S	Bend	trans	-153	-178	177.6	67.1	0	0	0	0	111.5	R718 N722 S723	R718-S720 VanDerWaalsContact CG-O 3.24Å; R718-S720 WeakPolarHBondContact CG-O 3.24Å; R718-S720 PolarHBondContact NE-O 3.08Å; S720-N722 PolarHBondContact O-N 2.99Å; S720-N722 PolarHBondContact OG-N 3.39Å; S720-S723 WeakPolarHBondContact OG-CB 3.43Å; S720-S723 PolarHBondContact OG-N 3.29Å; S720-S723 VanDerWaalsContact OG-N 3.12Å
721	S	61.8	Low	82.5	Confident	90 Å²	90	67.7 Å²	67.7	63%	0.629	36%	0.355	S	S	*	.	S	Bend	trans	-58.6	-28.5	174.9	58.2	0	0	0	0	113.1	R718	R718-S721 PolarHBondContact NH2-O 3.17Å
722	N	66.3	Low	82.2	Confident	141 Å²	141	74 Å²	74	75%	0.754	38%	0.375	S	S	*	.	S	Bend	trans	-122.6	1.8	-169.5	-63.4	19.9	0	0	0	114.3	S720	S720-N722 PolarHBondContact O-N 2.99Å; S720-N722 PolarHBondContact OG-N 3.39Å
723	S	68	Low	82	Confident	25 Å²	25	77 Å²	77	18%	0.175	39%	0.39	C	S	.	.			trans	-126.8	128.7	179.7	-171.4	0	0	0	0	111.6	E719 S720	E719-S723 PolarHBondContact N-O 3.28Å; S720-S723 WeakPolarHBondContact OG-CB 3.43Å; S720-S723 PolarHBondContact OG-N 3.29Å; S720-S723 VanDerWaalsContact OG-N 3.12Å
724	T	80.6	Confident	81.9	Confident	58 Å²	58	73.3 Å²	73.3	36%	0.356	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	118.9	175.4	-52.4	0	0	0	0	108.9	D704 Y705 L717	D704-T724 WeakPolarHBondContact CA-O 3.47Å; Y705-T724 PolarHBondContact N-O 3.34Å; L717-T724 WeakPolarHBondContact O-CA 3.43Å
725	T	88.6	Confident	82	Confident	13 Å²	13	70.4 Å²	70.4	8%	0.08	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	135.5	-175.7	-44.4	0	0	0	0	109.8	T703 L717 E719	T703-T725 VanDerWaalsContact OG1-CG2 3.26Å; T703-T725 WeakPolarHBondContact OG1-CG2 3.27Å; L717-T725 PolarHBondContact N-O 3Å; L717-T725 PolarHBondContact O-N 3.26Å; E719-T725 VanDerWaalsContact OE1-CB 3.27Å; E719-T725 WeakPolarHBondContact OE1-CB 3.23Å; E719-T725 PolarHBondContact OE1-OG1 3.2Å
726	C	90.8	Very high	81.8	Confident	3 Å²	3	71.5 Å²	71.5	2%	0.02	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	136.3	179.4	-59.3	0	0	0	0	111.7	V694 T703 C710 C712 Y715	V694-C726 HydrophobicContact CB-CB 4.34Å; V694-C726 HydrophobicContact CG2-CB 3.69Å; V694-C726 WeakPolarHBondContact CG2-O 3.13Å; T703-C726 WeakPolarHBondContact O-CB 3.1Å; T703-C726 PolarHBondContact O-N 3.43Å; C710-C726 PolarHBondContact O-SG 2.68Å; C710-C726 VanDerWaalsContact O-SG 3.37Å; C710-C726 PolarHBondContact SG-SG 3.02Å; C712-C726 WeakPolarHBondContact CA-SG 3.41Å; C712-C726 HydrophobicContact CB-CB 3.66Å; C712-C726 WeakPolarHBondContact CB-SG 3.34Å; C712-C726 PolarHBondContact N-SG 2.9Å; C712-C726 VanDerWaalsContact N-SG 3.41Å; C712-C726 WeakPolarHBondContact SG-CA 3.32Å; C712-C726 WeakPolarHBondContact SG-CB 3.45Å; C712-C726 CovalentContact SG-SG 2.03Å; C712-C726 PolarHBondContact SG-SG 2.79Å; Y715-C726 WeakPolarHBondContact O-CA 3.34Å
727	V	90.2	Very high	81.3	Confident	30 Å²	30	71.7 Å²	71.7	18%	0.182	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	154	-178.2	-60.3	0	0	0	0	112	Y715 L717 E729	Y715-V727 PolarHBondContact N-O 3.42Å; Y715-V727 PolarHBondContact O-N 2.92Å; L717-V727 HydrophobicContact CB-CG1 4.22Å; L717-V727 HydrophobicContact CB-CG2 4.3Å; L717-V727 HydrophobicContact CD2-CG1 4.28Å; V727-E729 WeakPolarHBondContact CG2-O 3.48Å
728	L	87.7	Confident	80.5	Confident	76 Å²	76	76.3 Å²	76.3	40%	0.398	40%	0.399	S	S	.	.	S	Bend	trans	-82.7	-26	175.6	-64.1	178	0	0	0	113.2	V694 K714 Y715	V694-L728 HydrophobicContact CB-CD2 4.33Å; V694-L728 HydrophobicContact CG1-CD1 4.36Å; V694-L728 HydrophobicContact CG1-CD2 3.96Å; V694-L728 HydrophobicContact CG1-CG 3.75Å; K714-L728 HydrophobicContact CD-CD2 4.32Å; K714-L728 WeakPolarHBondContact CD-O 3.22Å; Y715-L728 WeakPolarHBondContact CD2-O 3.5Å; Y715-L728 WeakPolarHBondContact CE2-O 3.47Å
729	E	88.8	Confident	79.8	Confident	165 Å²	165	72.6 Å²	72.6	77%	0.771	39%	0.394	S	S	*	.	S	Bend	trans	-143.2	136.8	-178.1	-62.4	-175.5	172.8	0	0	108.4	V727	V727-E729 WeakPolarHBondContact CG2-O 3.48Å
730	C	87.3	Confident	79.4	Confident	32 Å²	32	74.8 Å²	74.8	22%	0.216	41%	0.409	C	S	.	.			trans	-74.4	142.6	177.5	-70.4	0	0	0	0	111.5	T734 I736 C748	C730-T734 WeakPolarHBondContact CB-OG1 3.48Å; C730-I736 HydrophobicContact CB-CG1 4.39Å; C730-C748 WeakPolarHBondContact CA-SG 3.15Å; C730-C748 HydrophobicContact CB-CB 3.79Å; C730-C748 WeakPolarHBondContact CB-SG 3.26Å; C730-C748 WeakPolarHBondContact SG-CB 3.17Å; C730-C748 CovalentContact SG-SG 2.04Å; C730-C748 PolarHBondContact SG-SG 3.3Å
731	P	86.9	Confident	79.5	Confident	45 Å²	45	80.7 Å²	80.7	29%	0.292	42%	0.422	S	S	.	.			trans	-56.9	149	174	-25.6	35.1	0	0	0	113.1	L717 N733 T734	L717-P731 HydrophobicContact CD1-CG 4.07Å; L717-P731 HydrophobicContact CD2-CG 3.89Å; P731-N733 VanDerWaalsContact CB-OD1 3.31Å; P731-N733 WeakPolarHBondContact CB-OD1 3.31Å; P731-N733 PolarHBondContact O-N 2.54Å; P731-N733 VanDerWaalsContact O-N 3.13Å; P731-T734 HydrophobicContact CB-CG2 4.25Å; P731-T734 HydrophobicContact CG-CG2 4.47Å; P731-T734 PolarHBondContact O-N 3.42Å; P731-T734 PolarHBondContact O-OG1 3.37Å
732	R	85.2	Confident	79.4	Confident	198 Å²	198	86 Å²	86	75%	0.747	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-31.7	-176.5	-72.5	-171.1	179.2	-170	-0.1	114.4	T734 S757	R732-T734 PolarHBondContact O-N 2.96Å; R732-S757 WeakPolarHBondContact O-CA 3.07Å; R732-S757 WeakPolarHBondContact O-CB 3.44Å
733	N	84.3	Confident	79.4	Confident	92 Å²	92	85.8 Å²	85.8	49%	0.492	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	24	176.8	67	-46.7	0	0	0	113.1	P731 C751	P731-N733 VanDerWaalsContact CB-OD1 3.31Å; P731-N733 WeakPolarHBondContact CB-OD1 3.31Å; P731-N733 PolarHBondContact O-N 2.54Å; P731-N733 VanDerWaalsContact O-N 3.13Å; N733-C751 PolarHBondContact O-N 2.71Å; N733-C751 PolarHBondContact O-SG 2.94Å; N733-C751 VanDerWaalsContact O-SG 3.39Å
734	T	87.6	Confident	79.5	Confident	14 Å²	14	88.3 Å²	88.3	9%	0.086	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	155.4	175.3	66.3	0	0	0	0	111.1	L717 C730 P731 R732 C748 I749 C751	L717-T734 HydrophobicContact CD1-CG2 4.3Å; C730-T734 WeakPolarHBondContact CB-OG1 3.48Å; P731-T734 HydrophobicContact CB-CG2 4.25Å; P731-T734 HydrophobicContact CG-CG2 4.47Å; P731-T734 PolarHBondContact O-N 3.42Å; P731-T734 PolarHBondContact O-OG1 3.37Å; R732-T734 PolarHBondContact O-N 2.96Å; T734-C748 HydrophobicContact CG2-CB 4.44Å; T734-I749 CarbonylContact C-O 3.52Å; T734-I749 WeakPolarHBondContact CA-O 3.31Å; T734-I749 WeakPolarHBondContact CB-O 3.14Å; T734-C751 PolarHBondContact N-SG 3.05Å
735	Y	87.4	Confident	79.4	Confident	50 Å²	50	87.1 Å²	87.1	20%	0.196	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	158.6	169.4	69.9	-85.5	0	0	0	110.7	I749 P761	Y735-I749 HydrophobicContact CD1-CB 4.22Å; Y735-I749 HydrophobicContact CD1-CG2 4.47Å; Y735-I749 WeakPolarHBondContact CD1-O 3.37Å; Y735-I749 HydrophobicContact CE1-CB 3.75Å; Y735-I749 HydrophobicContact CE1-CG2 3.61Å; Y735-I749 HydrophobicContact CE2-CB 4.21Å; Y735-I749 HydrophobicContact CE2-CD1 4.33Å; Y735-I749 PolarHBondContact N-O 2.69Å; Y735-I749 PolarHBondContact O-N 2.97Å; Y735-P761 HydrophobicContact CE1-CB 4.12Å
736	I	85.8	Confident	79.1	Confident	89 Å²	89	86.8 Å²	86.8	46%	0.456	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	121.4	-177.4	-61	168.3	0	0	0	109.6	Y715 C730	Y715-I736 HydrophobicContact CD1-CG2 4.41Å; Y715-I736 HydrophobicContact CE1-CD1 3.87Å; Y715-I736 HydrophobicContact CE1-CG1 4.24Å; Y715-I736 HydrophobicContact CE1-CG2 3.99Å; C730-I736 HydrophobicContact CB-CG1 4.39Å
737	A	78.4	Confident	78.9	Confident	25 Å²	25	90.7 Å²	90.7	21%	0.207	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	138.6	165.9	0	0	0	0	0	111.1	E747 I749	A737-E747 HydrophobicContact CB-CB 4.32Å; A737-E747 PolarHBondContact N-O 2.97Å; A737-I749 HydrophobicContact CB-CD1 3.7Å; A737-I749 HydrophobicContact CB-CG1 4.22Å
738	T	69	Low	78.8	Confident	128 Å²	128	89.3 Å²	89.3	79%	0.785	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-64.7	125.1	173.8	42.8	0	0	0	0	110.8
739	P	66.1	Low	78.7	Confident	64 Å²	64	88.1 Å²	88.1	42%	0.416	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-65.4	148.5	-180	26.6	-33.9	0	0	0	111.7	R741 D744	P739-R741 PolarHBondContact O-N 2.89Å; P739-D744 HydrophobicContact CB-CB 4.17Å; P739-D744 WeakPolarHBondContact CB-O 3.42Å
740	L	61	Low	78.6	Confident	174 Å²	174	84.3 Å²	84.3	91%	0.911	44%	0.435	S	S	*	.	S	Bend	trans	-73.9	-12.9	-177.4	-68.2	171.9	0	0	0	113.7
741	R	68.2	Low	78.6	Confident	183 Å²	183	83.6 Å²	83.6	69%	0.691	43%	0.43	S	S	*	.	S	Bend	trans	-144.3	151.6	178	-55.4	176.3	169.3	167.2	-3	110.1	P739 N743 D744	P739-R741 PolarHBondContact O-N 2.89Å; R741-N743 PolarHBondContact O-N 2.92Å; R741-D744 WeakPolarHBondContact CB-OD2 3.05Å; R741-D744 WeakPolarHBondContact CD-OD2 2.98Å; R741-D744 WeakPolarHBondContact CG-OD2 3.46Å; R741-D744 PolarHBondContact O-N 2.84Å
742	E	59.8	Low	78.7	Confident	202 Å²	202	83.5 Å²	83.5	94%	0.944	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-12.5	-175.7	-72.1	179.9	127.2	0	0	115.7
743	N	65.5	Low	78.9	Confident	135 Å²	135	78.9 Å²	78.9	72%	0.722	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.5	6.2	-178.6	-72.3	-36.2	0	0	0	114	R741	R741-N743 PolarHBondContact O-N 2.92Å
744	D	71.2	Confident	79.1	Confident	78 Å²	78	76.7 Å²	76.7	42%	0.417	41%	0.41	S	S	.	.	S	Bend	trans	-92.1	145.3	179.2	-63.9	-12.1	0	0	0	110.1	P739 R741	P739-D744 HydrophobicContact CB-CB 4.17Å; P739-D744 WeakPolarHBondContact CB-O 3.42Å; R741-D744 WeakPolarHBondContact CB-OD2 3.05Å; R741-D744 WeakPolarHBondContact CD-OD2 2.98Å; R741-D744 WeakPolarHBondContact CG-OD2 3.46Å; R741-D744 PolarHBondContact O-N 2.84Å
745	A	76.9	Confident	79.2	Confident	33 Å²	33	76.5 Å²	76.5	27%	0.273	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-64.9	143.6	174.2	0	0	0	0	0	111.4	C712 K714	C712-A745 HydrophobicContact CB-CB 3.66Å; K714-A745 CarbonylContact O-C 3.55Å; K714-A745 VanDerWaalsContact O-CA 3.28Å; K714-A745 WeakPolarHBondContact O-CA 3.4Å; K714-A745 WeakPolarHBondContact O-CB 3.49Å
746	G	83.1	Confident	79.2	Confident	6 Å²	6	77.1 Å²	77.1	6%	0.062	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	149.8	174.9	0	0	0	0	0	111.9	K714 Y715 S716	K714-G746 PolarHBondContact O-N 3.2Å; Y715-G746 CarbonylContact C-O 3.12Å; Y715-G746 WeakPolarHBondContact CA-O 3.35Å; Y715-G746 WeakPolarHBondContact CB-O 3.43Å; S716-G746 PolarHBondContact N-O 3.14Å; S716-G746 PolarHBondContact OG-O 3.45Å
747	E	86.7	Confident	79.3	Confident	85 Å²	85	73.9 Å²	73.9	40%	0.397	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	129.4	-179.5	-171.1	173.4	-170.1	0	0	110.9	A737 I749	A737-E747 HydrophobicContact CB-CB 4.32Å; A737-E747 PolarHBondContact N-O 2.97Å; E747-I749 HydrophobicContact CG-CG1 4.22Å
748	C	88.4	Confident	79.8	Confident	2 Å²	2	73.2 Å²	73.2	1%	0.014	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	106.4	173.6	-51.3	0	0	0	0	109.7	S716 L717 C730 T734	S716-C748 PolarHBondContact O-N 2.9Å; L717-C748 HydrophobicContact CD1-CB 3.79Å; C730-C748 WeakPolarHBondContact CA-SG 3.15Å; C730-C748 HydrophobicContact CB-CB 3.79Å; C730-C748 WeakPolarHBondContact CB-SG 3.26Å; C730-C748 WeakPolarHBondContact SG-CB 3.17Å; C730-C748 CovalentContact SG-SG 2.04Å; C730-C748 PolarHBondContact SG-SG 3.3Å; T734-C748 HydrophobicContact CG2-CB 4.44Å
749	I	85.5	Confident	80.8	Confident	50 Å²	50	71.8 Å²	71.8	26%	0.256	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	133.2	-177.4	-56.9	-174	0	0	0	110.6	T734 Y735 A737 E747	T734-I749 CarbonylContact C-O 3.52Å; T734-I749 WeakPolarHBondContact CA-O 3.31Å; T734-I749 WeakPolarHBondContact CB-O 3.14Å; Y735-I749 HydrophobicContact CD1-CB 4.22Å; Y735-I749 HydrophobicContact CD1-CG2 4.47Å; Y735-I749 WeakPolarHBondContact CD1-O 3.37Å; Y735-I749 HydrophobicContact CE1-CB 3.75Å; Y735-I749 HydrophobicContact CE1-CG2 3.61Å; Y735-I749 HydrophobicContact CE2-CB 4.21Å; Y735-I749 HydrophobicContact CE2-CD1 4.33Å; Y735-I749 PolarHBondContact N-O 2.69Å; Y735-I749 PolarHBondContact O-N 2.97Å; A737-I749 HydrophobicContact CB-CD1 3.7Å; A737-I749 HydrophobicContact CB-CG1 4.22Å; E747-I749 HydrophobicContact CG-CG1 4.22Å
750	P	85.6	Confident	81.7	Confident	85 Å²	85	69 Å²	69	55%	0.552	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.3	141.1	177	-26.6	35.5	0	0	0	114.7
751	C	88.6	Confident	82.9	Confident	18 Å²	18	64.3 Å²	64.3	12%	0.122	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-69.4	170.5	169.3	-61.1	0	0	0	0	112.8	N733 T734 C755 C758	N733-C751 PolarHBondContact O-N 2.71Å; N733-C751 PolarHBondContact O-SG 2.94Å; N733-C751 VanDerWaalsContact O-SG 3.39Å; T734-C751 PolarHBondContact N-SG 3.05Å; C751-C755 HydrophobicContact CB-CB 3.69Å; C751-C758 WeakPolarHBondContact CA-SG 3.43Å; C751-C758 HydrophobicContact CB-CB 3.69Å; C751-C758 WeakPolarHBondContact CB-SG 3.16Å; C751-C758 WeakPolarHBondContact SG-CB 3.12Å; C751-C758 PolarHBondContact SG-N 3.4Å; C751-C758 VanDerWaalsContact SG-N 3.39Å; C751-C758 CovalentContact SG-SG 2.02Å; C751-C758 PolarHBondContact SG-SG 3.1Å
752	D	88.6	Confident	83.8	Confident	43 Å²	43	61.2 Å²	61.2	23%	0.23	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-53.2	141.9	164.4	-178.9	-81	0	0	0	111.3	Q754 C755	D752-Q754 PolarHBondContact O-N 2.83Å; D752-Q754 WeakPolarHBondContact OD1-CB 3.46Å; D752-Q754 PolarHBondContact OD1-N 3.5Å; D752-C755 WeakPolarHBondContact O-CB 2.99Å; D752-C755 PolarHBondContact O-N 3.24Å
753	P	88.4	Confident	85.1	Confident	101 Å²	101	53 Å²	53	66%	0.656	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-15.7	-179	-26.6	35.8	0	0	0	116.6
754	Q	89.3	Confident	86.1	Confident	45 Å²	45	48.4 Å²	48.4	21%	0.21	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-7.3	173.3	-56.1	-51.5	-57.4	0	0	113.6	D752 C769 L770 H771 C784	D752-Q754 PolarHBondContact O-N 2.83Å; D752-Q754 WeakPolarHBondContact OD1-CB 3.46Å; D752-Q754 PolarHBondContact OD1-N 3.5Å; Q754-C769 WeakPolarHBondContact O-CA 3.38Å; Q754-L770 WeakPolarHBondContact O-CB 3.22Å; Q754-L770 PolarHBondContact O-N 3.26Å; Q754-H771 PolarHBondContact OE1-ND1 2.87Å; Q754-H771 VanDerWaalsContact OE1-ND1 3.15Å; Q754-C784 HydrophobicContact CB-CB 3.61Å; Q754-C784 WeakPolarHBondContact CB-O 3.37Å; Q754-C784 WeakPolarHBondContact O-CB 3.39Å
755	C	89.3	Confident	86.9	Confident	10 Å²	10	46.7 Å²	46.7	7%	0.068	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	135.5	173.3	-56.1	0	0	0	0	111.9	C751 D752 C758 C766	C751-C755 HydrophobicContact CB-CB 3.69Å; D752-C755 WeakPolarHBondContact O-CB 2.99Å; D752-C755 PolarHBondContact O-N 3.24Å; C755-C758 HydrophobicContact CB-CB 4.23Å; C755-C766 WeakPolarHBondContact CA-SG 3.43Å; C755-C766 HydrophobicContact CB-CB 3.82Å; C755-C766 WeakPolarHBondContact CB-SG 3.44Å; C755-C766 WeakPolarHBondContact SG-CA 3.47Å; C755-C766 WeakPolarHBondContact SG-CB 3.46Å; C755-C766 CovalentContact SG-SG 2.03Å; C755-C766 PolarHBondContact SG-SG 3.18Å
756	N	87	Confident	87.4	Confident	64 Å²	64	45.5 Å²	45.5	34%	0.342	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-27.3	158.9	-166.8	50.7	0	0	0	111.5	E768	N756-E768 HydrophobicContact CB-CB 4.19Å; N756-E768 HydrophobicContact CB-CG 4.09Å; N756-E768 PolarHBondContact N-O 3.12Å; N756-E768 PolarHBondContact ND2-OE2 3.2Å
757	S	89	Confident	87.6	Confident	21 Å²	21	50.3 Å²	50.3	15%	0.147	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	155.6	167.4	53	0	0	0	0	111.3	R732 C766 L767 E768	R732-S757 WeakPolarHBondContact O-CA 3.07Å; R732-S757 WeakPolarHBondContact O-CB 3.44Å; S757-C766 CarbonylContact O-C 3.36Å; S757-C766 VanDerWaalsContact O-CA 3.29Å; S757-C766 WeakPolarHBondContact O-CA 3.48Å; S757-L767 PolarHBondContact O-N 3.11Å; S757-E768 PolarHBondContact O-N 3.18Å
758	C	89.5	Confident	87.7	Confident	11 Å²	11	50.5 Å²	50.5	7%	0.074	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	167.5	-173.9	69	0	0	0	0	113.6	C751 C755 G760 D765	C751-C758 WeakPolarHBondContact CA-SG 3.43Å; C751-C758 HydrophobicContact CB-CB 3.69Å; C751-C758 WeakPolarHBondContact CB-SG 3.16Å; C751-C758 WeakPolarHBondContact SG-CB 3.12Å; C751-C758 PolarHBondContact SG-N 3.4Å; C751-C758 VanDerWaalsContact SG-N 3.39Å; C751-C758 CovalentContact SG-SG 2.02Å; C751-C758 PolarHBondContact SG-SG 3.1Å; C755-C758 HydrophobicContact CB-CB 4.23Å; C758-G760 WeakPolarHBondContact CB-O 3.26Å; C758-G760 PolarHBondContact SG-O 3.13Å; C758-D765 CarbonylContact C-O 3.59Å; C758-D765 WeakPolarHBondContact CA-O 3.26Å; C758-D765 WeakPolarHBondContact CB-O 3.48Å
759	T	89.1	Confident	87.7	Confident	97 Å²	97	50.8 Å²	50.8	60%	0.595	29%	0.291	S	S	*	.	S	Bend	trans	-109.1	-0.7	167.5	50.4	0	0	0	0	113.9	D765 L767	T759-D765 PolarHBondContact N-O 3.19Å; T759-D765 PolarHBondContact OG1-O 3.35Å; T759-L767 HydrophobicContact CG2-CD1 4.06Å; T759-L767 HydrophobicContact CG2-CD2 4.04Å; T759-L767 HydrophobicContact CG2-CG 4.16Å
760	G	85	Confident	87.8	Confident	6 Å²	6	52 Å²	52	6%	0.062	30%	0.298	C	S	.	.	S	Bend	trans	-171.5	-178.2	-172.7	0	0	0	0	0	111.8	C758 D765	C758-G760 WeakPolarHBondContact CB-O 3.26Å; C758-G760 PolarHBondContact SG-O 3.13Å; G760-D765 VanDerWaalsContact C-OD2 3.27Å; G760-D765 WeakPolarHBondContact CA-OD2 3.25Å
761	P	87.1	Confident	87.9	Confident	75 Å²	75	51.8 Å²	51.8	49%	0.487	29%	0.289	S	S	.	.	S	Bend	trans	-82.1	-13.7	-169.5	33.1	-36.5	0	0	0	115	Y735 D765	Y735-P761 HydrophobicContact CE1-CB 4.12Å; P761-D765 WeakPolarHBondContact CD-OD2 3.42Å
762	E	86.5	Confident	87.9	Confident	118 Å²	118	54.7 Å²	54.7	55%	0.551	30%	0.298	S	S	*	.	S	Bend	trans	-89.3	154.6	-174.6	-61.5	-170.8	179.5	0	0	112.8	T764 D765	E762-T764 PolarHBondContact O-N 3.05Å; E762-T764 PolarHBondContact OE2-OG1 3.07Å; E762-D765 PolarHBondContact N-OD2 2.85Å; E762-D765 WeakPolarHBondContact O-CB 3.44Å; E762-D765 PolarHBondContact O-N 3.38Å
763	S	86	Confident	87.9	Confident	29 Å²	29	55.5 Å²	55.5	20%	0.203	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-6.4	171.5	64.3	0	0	0	0	114.1	C766 N783 C784	S763-C766 PolarHBondContact O-SG 2.85Å; S763-C766 VanDerWaalsContact O-SG 3.4Å; S763-N783 VanDerWaalsContact CB-OD1 3.22Å; S763-N783 WeakPolarHBondContact CB-OD1 3.37Å; S763-N783 PolarHBondContact O-OD1 2.72Å; S763-N783 PolarHBondContact OG-OD1 2.91Å; S763-C784 PolarHBondContact O-N 3.45Å
764	T	86.6	Confident	87.8	Confident	40 Å²	40	52.5 Å²	52.5	25%	0.245	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-12.1	170.4	72.2	0	0	0	0	113.7	E762 C766 I776	E762-T764 PolarHBondContact O-N 3.05Å; E762-T764 PolarHBondContact OE2-OG1 3.07Å; T764-C766 VanDerWaalsContact C-N 3.32Å; T764-I776 HydrophobicContact CG2-CD1 4.44Å
765	D	88.6	Confident	87.4	Confident	42 Å²	42	54.5 Å²	54.5	23%	0.225	29%	0.286	C	S	.	.	S	Bend	trans	-89.3	1.4	174.1	-65.1	-45.6	0	0	0	112.3	C758 T759 G760 P761 E762 L767	C758-D765 CarbonylContact C-O 3.59Å; C758-D765 WeakPolarHBondContact CA-O 3.26Å; C758-D765 WeakPolarHBondContact CB-O 3.48Å; T759-D765 PolarHBondContact N-O 3.19Å; T759-D765 PolarHBondContact OG1-O 3.35Å; G760-D765 VanDerWaalsContact C-OD2 3.27Å; G760-D765 WeakPolarHBondContact CA-OD2 3.25Å; P761-D765 WeakPolarHBondContact CD-OD2 3.42Å; E762-D765 PolarHBondContact N-OD2 2.85Å; E762-D765 WeakPolarHBondContact O-CB 3.44Å; E762-D765 PolarHBondContact O-N 3.38Å; D765-L767 PolarHBondContact O-N 3.14Å
766	C	88	Confident	86.9	Confident	7 Å²	7	57.7 Å²	57.7	5%	0.047	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	129.6	177.8	-54.6	0	0	0	0	111.5	C755 S757 S763 T764 F782 C784	C755-C766 WeakPolarHBondContact CA-SG 3.43Å; C755-C766 HydrophobicContact CB-CB 3.82Å; C755-C766 WeakPolarHBondContact CB-SG 3.44Å; C755-C766 WeakPolarHBondContact SG-CA 3.47Å; C755-C766 WeakPolarHBondContact SG-CB 3.46Å; C755-C766 CovalentContact SG-SG 2.03Å; C755-C766 PolarHBondContact SG-SG 3.18Å; S757-C766 CarbonylContact O-C 3.36Å; S757-C766 VanDerWaalsContact O-CA 3.29Å; S757-C766 WeakPolarHBondContact O-CA 3.48Å; S763-C766 PolarHBondContact O-SG 2.85Å; S763-C766 VanDerWaalsContact O-SG 3.4Å; T764-C766 VanDerWaalsContact C-N 3.32Å; C766-F782 HydrophobicContact CB-CE2 4.35Å; C766-F782 WeakPolarHBondContact O-CE2 3.24Å; C766-F782 WeakPolarHBondContact O-CZ 3.06Å; C766-C784 HydrophobicContact CB-CB 4.48Å; C766-C784 WeakPolarHBondContact CB-SG 3.46Å; C766-C784 PolarHBondContact SG-SG 2.81Å
767	L	88	Confident	85.9	Confident	108 Å²	108	59.8 Å²	59.8	57%	0.565	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	-30	168.1	-62.6	173.7	0	0	0	111.5	S757 T759 D765	S757-L767 PolarHBondContact O-N 3.11Å; T759-L767 HydrophobicContact CG2-CD1 4.06Å; T759-L767 HydrophobicContact CG2-CD2 4.04Å; T759-L767 HydrophobicContact CG2-CG 4.16Å; D765-L767 PolarHBondContact O-N 3.14Å
768	E	87.3	Confident	84.8	Confident	89 Å²	89	68.6 Å²	68.6	42%	0.416	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	134.6	179.3	-175.2	178.2	-151.6	0	0	109.8	N756 S757	N756-E768 HydrophobicContact CB-CB 4.19Å; N756-E768 HydrophobicContact CB-CG 4.09Å; N756-E768 PolarHBondContact N-O 3.12Å; N756-E768 PolarHBondContact ND2-OE2 3.2Å; S757-E768 PolarHBondContact O-N 3.18Å
769	C	88.8	Confident	83.7	Confident	8 Å²	8	70.4 Å²	70.4	5%	0.054	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	145.9	178.5	-57.1	0	0	0	0	112.2	Q754 Y772 K773 F782 C784	Q754-C769 WeakPolarHBondContact O-CA 3.38Å; C769-Y772 PolarHBondContact SG-O 3.12Å; C769-K773 HydrophobicContact CB-CG 4.26Å; C769-K773 WeakPolarHBondContact SG-CG 3.33Å; C769-F782 VanDerWaalsContact SG-CD2 3.53Å; C769-F782 WeakPolarHBondContact SG-CE2 3.28Å; C769-C784 WeakPolarHBondContact CA-SG 3.07Å; C769-C784 HydrophobicContact CB-CB 3.64Å; C769-C784 WeakPolarHBondContact CB-SG 3.06Å; C769-C784 WeakPolarHBondContact SG-CA 3.27Å; C769-C784 WeakPolarHBondContact SG-CB 3.44Å; C769-C784 CovalentContact SG-SG 2.03Å; C769-C784 PolarHBondContact SG-SG 3.17Å
770	L	87.5	Confident	82.9	Confident	76 Å²	76	73.5 Å²	73.5	40%	0.398	38%	0.381	S	S	.	.	S	Bend	trans	-63.8	-46.2	171.9	-174.3	61.6	0	0	0	111.7	Q754 R799	Q754-L770 WeakPolarHBondContact O-CB 3.22Å; Q754-L770 PolarHBondContact O-N 3.26Å; L770-R799 PolarHBondContact O-NH1 3.17Å
771	H	87.3	Confident	82.5	Confident	79 Å²	79	78.9 Å²	78.9	37%	0.366	40%	0.403	S	S	.	.	S	Bend	trans	-112.9	-86.1	-174.7	-59.3	116.6	0	0	0	112.1	Q754 T785 R799	Q754-H771 PolarHBondContact OE1-ND1 2.87Å; Q754-H771 VanDerWaalsContact OE1-ND1 3.15Å; H771-T785 VanDerWaalsContact CB-O 3.31Å; H771-T785 WeakPolarHBondContact CB-O 3.43Å; H771-R799 VanDerWaalsContact O-CD 3.28Å; H771-R799 WeakPolarHBondContact O-CD 3.38Å
772	Y	88.7	Confident	82.4	Confident	79 Å²	79	76.7 Å²	76.7	31%	0.31	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	150.8	-172.3	-51.4	-70.2	0	0	0	112.6	C769 T785 S786 V795 R799	C769-Y772 PolarHBondContact SG-O 3.12Å; Y772-T785 PolarHBondContact N-O 3.02Å; Y772-T785 VanDerWaalsContact N-O 3.12Å; Y772-T785 PolarHBondContact O-N 3.42Å; Y772-T785 VanDerWaalsContact O-N 3.08Å; Y772-S786 WeakPolarHBondContact CE2-O 3.36Å; Y772-V795 HydrophobicContact CD1-CG1 4.09Å; Y772-V795 HydrophobicContact CD1-CG2 4.15Å; Y772-V795 HydrophobicContact CE1-CG1 4.08Å; Y772-V795 HydrophobicContact CE1-CG2 3.88Å; Y772-R799 WeakPolarHBondContact CA-O 3.24Å
773	K	88.5	Confident	82.5	Confident	60 Å²	60	73.6 Å²	73.6	26%	0.261	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	128.6	169.9	-72	179.9	175.1	-171.2	0	109.5	C769 F782 R799 L800 C801	C769-K773 HydrophobicContact CB-CG 4.26Å; C769-K773 WeakPolarHBondContact SG-CG 3.33Å; K773-F782 HydrophobicContact CB-CB 4.27Å; K773-F782 HydrophobicContact CB-CD2 4.42Å; K773-F782 HydrophobicContact CB-CG 4.36Å; K773-F782 HydrophobicContact CD-CD1 4.29Å; K773-F782 HydrophobicContact CD-CD2 4.27Å; K773-F782 HydrophobicContact CD-CE1 4.43Å; K773-F782 HydrophobicContact CD-CE2 4.4Å; K773-F782 HydrophobicContact CD-CG 4.22Å; K773-F782 HydrophobicContact CD-CZ 4.48Å; K773-F782 HydrophobicContact CG-CD2 3.85Å; K773-F782 HydrophobicContact CG-CE2 4.24Å; K773-F782 HydrophobicContact CG-CG 4.08Å; K773-R799 PolarHBondContact N-O 2.94Å; K773-L800 HydrophobicContact CB-CD1 4.47Å; K773-L800 WeakPolarHBondContact O-CD1 3.36Å; K773-C801 PolarHBondContact O-N 2.88Å; K773-C801 VanDerWaalsContact O-N 3.11Å
774	D	86.6	Confident	82.6	Confident	39 Å²	39	72.4 Å²	72.4	21%	0.209	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	114.2	169.8	-171.2	25.8	0	0	0	109.5	F782 N783 T785 P789	D774-F782 CarbonylContact O-C 3.21Å; D774-F782 WeakPolarHBondContact O-CA 3.5Å; D774-F782 WeakPolarHBondContact O-CB 3.05Å; D774-N783 PolarHBondContact N-O 2.89Å; D774-N783 PolarHBondContact O-N 3.41Å; D774-T785 HydrophobicContact CB-CG2 3.91Å; D774-P789 WeakPolarHBondContact OD2-CG 3.12Å
775	F	81.9	Confident	82.7	Confident	86 Å²	86	71.7 Å²	71.7	38%	0.377	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	125.2	-175.8	-88.8	-65.1	0	0	0	111.2	T777 F782 L800	F775-T777 PolarHBondContact O-N 2.03Å; F775-F782 HydrophobicContact CD1-CB 4.02Å; F775-F782 HydrophobicContact CE1-CB 4.18Å; F775-F782 HydrophobicContact CE1-CD1 4.15Å; F775-L800 HydrophobicContact CD2-CD1 3.39Å; F775-L800 HydrophobicContact CD2-CD2 4.14Å; F775-L800 HydrophobicContact CD2-CG 4.42Å; F775-L800 HydrophobicContact CE2-CD1 3.81Å; F775-L800 HydrophobicContact CE2-CD2 4.09Å; F775-L800 HydrophobicContact CG-CD1 4.43Å
776	I	79	Confident	82.7	Confident	77 Å²	77	73.3 Å²	73.3	40%	0.395	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-71.2	116.7	173.5	-57.5	171.3	0	0	0	107.3	T764 E778 S779 K781	T764-I776 HydrophobicContact CG2-CD1 4.44Å; I776-E778 PolarHBondContact O-N 2.68Å; I776-S779 PolarHBondContact O-N 2.72Å; I776-S779 PolarHBondContact O-OG 3.09Å; I776-S779 VanDerWaalsContact O-OG 3.07Å; I776-K781 HydrophobicContact CD1-CB 4.36Å; I776-K781 PolarHBondContact N-O 3.38Å
777	T	64.6	Low	82.7	Confident	108 Å²	108	76.8 Å²	76.8	66%	0.663	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.5	133.5	-177.9	47	0	0	0	0	111.9	F775 S779	F775-T777 PolarHBondContact O-N 2.03Å; T777-S779 VanDerWaalsContact C-N 3.35Å
778	E	66.7	Low	82.6	Confident	207 Å²	207	73 Å²	73	97%	0.967	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	17.3	-176.9	-49.5	-170.7	159.8	0	0	116.1	I776	I776-E778 PolarHBondContact O-N 2.68Å
779	S	65.5	Low	82.5	Confident	48 Å²	48	71 Å²	71	34%	0.336	38%	0.376	S	S	.	.	S	Bend	trans	-140.6	154.8	170.8	77.3	0	0	0	0	113.8	I776 T777 K781	I776-S779 PolarHBondContact O-N 2.72Å; I776-S779 PolarHBondContact O-OG 3.09Å; I776-S779 VanDerWaalsContact O-OG 3.07Å; T777-S779 VanDerWaalsContact C-N 3.35Å; S779-K781 PolarHBondContact O-N 2.81Å; S779-K781 PolarHBondContact OG-N 3.03Å; S779-K781 PolarHBondContact OG-O 3.06Å
780	D	72.7	Confident	82.1	Confident	162 Å²	162	79.8 Å²	79.8	87%	0.866	42%	0.417	S	S	*	.	S	Bend	trans	-73.1	1.7	168.8	-63.1	-36.9	0	0	0	112.7
781	K	76.9	Confident	81.8	Confident	120 Å²	120	84.3 Å²	84.3	52%	0.522	44%	0.436	S	S	.	.			trans	-85	138.1	177	-65.6	-166.4	171.7	-158.9	0	110.8	I776 S779	I776-K781 HydrophobicContact CD1-CB 4.36Å; I776-K781 PolarHBondContact N-O 3.38Å; S779-K781 PolarHBondContact O-N 2.81Å; S779-K781 PolarHBondContact OG-N 3.03Å; S779-K781 PolarHBondContact OG-O 3.06Å
782	F	85	Confident	81.5	Confident	29 Å²	29	85 Å²	85	13%	0.127	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	154.1	169.4	55.3	-91.1	0	0	0	110	C766 C769 K773 D774 F775	C766-F782 HydrophobicContact CB-CE2 4.35Å; C766-F782 WeakPolarHBondContact O-CE2 3.24Å; C766-F782 WeakPolarHBondContact O-CZ 3.06Å; C769-F782 VanDerWaalsContact SG-CD2 3.53Å; C769-F782 WeakPolarHBondContact SG-CE2 3.28Å; K773-F782 HydrophobicContact CB-CB 4.27Å; K773-F782 HydrophobicContact CB-CD2 4.42Å; K773-F782 HydrophobicContact CB-CG 4.36Å; K773-F782 HydrophobicContact CD-CD1 4.29Å; K773-F782 HydrophobicContact CD-CD2 4.27Å; K773-F782 HydrophobicContact CD-CE1 4.43Å; K773-F782 HydrophobicContact CD-CE2 4.4Å; K773-F782 HydrophobicContact CD-CG 4.22Å; K773-F782 HydrophobicContact CD-CZ 4.48Å; K773-F782 HydrophobicContact CG-CD2 3.85Å; K773-F782 HydrophobicContact CG-CE2 4.24Å; K773-F782 HydrophobicContact CG-CG 4.08Å; D774-F782 CarbonylContact O-C 3.21Å; D774-F782 WeakPolarHBondContact O-CA 3.5Å; D774-F782 WeakPolarHBondContact O-CB 3.05Å; F775-F782 HydrophobicContact CD1-CB 4.02Å; F775-F782 HydrophobicContact CE1-CB 4.18Å; F775-F782 HydrophobicContact CE1-CD1 4.15Å
783	N	88.2	Confident	81.1	Confident	52 Å²	52	84.9 Å²	84.9	28%	0.278	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	140.5	163.8	-161.9	2.3	0	0	0	108.4	S763 D774	S763-N783 VanDerWaalsContact CB-OD1 3.22Å; S763-N783 WeakPolarHBondContact CB-OD1 3.37Å; S763-N783 PolarHBondContact O-OD1 2.72Å; S763-N783 PolarHBondContact OG-OD1 2.91Å; D774-N783 PolarHBondContact N-O 2.89Å; D774-N783 PolarHBondContact O-N 3.41Å
784	C	89.3	Confident	80.7	Confident	5 Å²	5	86.3 Å²	86.3	3%	0.034	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	123.2	173.6	-66.5	0	0	0	0	110.7	Q754 S763 C766 C769	Q754-C784 HydrophobicContact CB-CB 3.61Å; Q754-C784 WeakPolarHBondContact CB-O 3.37Å; Q754-C784 WeakPolarHBondContact O-CB 3.39Å; S763-C784 PolarHBondContact O-N 3.45Å; C766-C784 HydrophobicContact CB-CB 4.48Å; C766-C784 WeakPolarHBondContact CB-SG 3.46Å; C766-C784 PolarHBondContact SG-SG 2.81Å; C769-C784 WeakPolarHBondContact CA-SG 3.07Å; C769-C784 HydrophobicContact CB-CB 3.64Å; C769-C784 WeakPolarHBondContact CB-SG 3.06Å; C769-C784 WeakPolarHBondContact SG-CA 3.27Å; C769-C784 WeakPolarHBondContact SG-CB 3.44Å; C769-C784 CovalentContact SG-SG 2.03Å; C769-C784 PolarHBondContact SG-SG 3.17Å
785	T	88.3	Confident	80.4	Confident	25 Å²	25	87.9 Å²	87.9	15%	0.153	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	152.4	-175.5	86.8	0	0	0	0	111.5	H771 Y772 D774 S787	H771-T785 VanDerWaalsContact CB-O 3.31Å; H771-T785 WeakPolarHBondContact CB-O 3.43Å; Y772-T785 PolarHBondContact N-O 3.02Å; Y772-T785 VanDerWaalsContact N-O 3.12Å; Y772-T785 PolarHBondContact O-N 3.42Å; Y772-T785 VanDerWaalsContact O-N 3.08Å; D774-T785 HydrophobicContact CB-CG2 3.91Å; T785-S787 VanDerWaalsContact C-N 3.34Å; T785-S787 PolarHBondContact OG1-N 3.36Å; T785-S787 PolarHBondContact OG1-O 3.18Å
786	S	87.8	Confident	80	Confident	76 Å²	76	84.6 Å²	84.6	53%	0.531	45%	0.449	S	S	.	.	S	Bend	trans	-80.5	-12.2	174.6	52.5	0	0	0	0	113.8	Y772	Y772-S786 WeakPolarHBondContact CE2-O 3.36Å
787	S	88	Confident	79.8	Confident	80 Å²	80	88.6 Å²	88.6	56%	0.559	47%	0.466	S	S	*	.	S	Bend	trans	-156.1	138.6	178.5	56.3	0	0	0	0	110.9	T785	T785-S787 VanDerWaalsContact C-N 3.34Å; T785-S787 PolarHBondContact OG1-N 3.36Å; T785-S787 PolarHBondContact OG1-O 3.18Å
788	C	86.6	Confident	80.4	Confident	28 Å²	28	89.8 Å²	89.8	19%	0.189	47%	0.469	C	S	.	.			trans	-66.1	145.1	176.5	-71.1	0	0	0	0	112.7	R792 C801	C788-R792 WeakPolarHBondContact CB-O 3.49Å; C788-C801 WeakPolarHBondContact CA-SG 3.45Å; C788-C801 HydrophobicContact CB-CB 3.7Å; C788-C801 WeakPolarHBondContact CB-SG 3.35Å; C788-C801 VanDerWaalsContact SG-CA 3.53Å; C788-C801 WeakPolarHBondContact SG-CB 3.28Å; C788-C801 CovalentContact SG-SG 2.04Å; C788-C801 PolarHBondContact SG-SG 3.45Å
789	P	84.2	Confident	81.2	Confident	47 Å²	47	86.7 Å²	86.7	31%	0.305	45%	0.448	S	S	.	.			trans	-60.9	152.4	173.3	-21.1	32.4	0	0	0	112.8	D774 E791 R792	D774-P789 WeakPolarHBondContact OD2-CG 3.12Å; P789-E791 PolarHBondContact O-N 3.21Å; P789-E791 VanDerWaalsContact O-N 3.11Å; P789-R792 CarbonylContact O-C 3.48Å; P789-R792 PolarHBondContact O-N 3.31Å
790	E	81.4	Confident	82.1	Confident	193 Å²	193	86.5 Å²	86.5	90%	0.902	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-26.3	179.7	-66	-167	156.6	0	0	113.5	R792	E790-R792 VanDerWaalsContact C-N 3.27Å; E790-R792 PolarHBondContact O-N 2.84Å
791	E	80.4	Confident	82.8	Confident	171 Å²	171	78.8 Å²	78.8	80%	0.799	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-19.7	176.7	-59.6	-176.5	178.4	0	0	113.4	P789	P789-E791 PolarHBondContact O-N 3.21Å; P789-E791 VanDerWaalsContact O-N 3.11Å
792	R	81.2	Confident	83	Confident	92 Å²	92	74 Å²	74	35%	0.347	38%	0.383	S	S	.	.	S	Bend	trans	-139.9	61.5	-175.2	-61.3	-176.4	-174.6	-139.6	0.5	111.6	C788 P789 E790 F794 C801 T802	C788-R792 WeakPolarHBondContact CB-O 3.49Å; P789-R792 CarbonylContact O-C 3.48Å; P789-R792 PolarHBondContact O-N 3.31Å; E790-R792 VanDerWaalsContact C-N 3.27Å; E790-R792 PolarHBondContact O-N 2.84Å; R792-F794 VanDerWaalsContact C-N 3.33Å; R792-F794 PolarHBondContact O-N 3.32Å; R792-C801 HydrophobicContact CB-CB 4.06Å; R792-T802 CarbonylContact C-O 3.58Å; R792-T802 WeakPolarHBondContact CA-O 3.44Å
793	P	80.6	Confident	82.7	Confident	78 Å²	78	78.1 Å²	78.1	51%	0.506	41%	0.406	S	S	.	.			trans	-79.2	-10.7	-166.4	33.4	-37	0	0	0	114.4
794	F	79.2	Confident	81.9	Confident	89 Å²	89	79.8 Å²	79.8	39%	0.39	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	147.4	-179.1	-54.5	-78.4	0	0	0	110.7	R792 T802 D805	R792-F794 VanDerWaalsContact C-N 3.33Å; R792-F794 PolarHBondContact O-N 3.32Å; F794-T802 WeakPolarHBondContact CB-O 3.18Å; F794-T802 PolarHBondContact N-O 3.11Å; F794-T802 PolarHBondContact O-N 3.34Å; F794-T802 PolarHBondContact O-OG1 3.26Å; F794-D805 HydrophobicContact CD1-CB 4.21Å; F794-D805 HydrophobicContact CE1-CB 4.19Å
795	V	80.3	Confident	81	Confident	72 Å²	72	83.1 Å²	83.1	44%	0.436	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	125.4	-176.6	-175.5	0	0	0	0	110.1	Y772 L800	Y772-V795 HydrophobicContact CD1-CG1 4.09Å; Y772-V795 HydrophobicContact CD1-CG2 4.15Å; Y772-V795 HydrophobicContact CE1-CG1 4.08Å; Y772-V795 HydrophobicContact CE1-CG2 3.88Å; V795-L800 WeakPolarHBondContact CA-O 3.31Å
796	S	74.9	Confident	79.9	Confident	18 Å²	18	86.2 Å²	86.2	13%	0.126	45%	0.45	C	S	.	.			trans	-71.1	170.4	175.6	91.5	0	0	0	0	112.2	D798 R799 L800	S796-D798 PolarHBondContact O-N 2.03Å; S796-D798 VanDerWaalsContact O-N 3.1Å; S796-D798 PolarHBondContact OG-N 3.15Å; S796-R799 PolarHBondContact O-N 3.24Å; S796-R799 VanDerWaalsContact O-N 3.15Å; S796-L800 PolarHBondContact N-O 3.06Å; S796-L800 PolarHBondContact OG-N 3Å
797	Q	73.9	Confident	78.6	Confident	161 Å²	161	90 Å²	90	75%	0.752	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-22.4	172.6	-65.8	-159.9	-105.6	0	0	113.1
798	D	77.5	Confident	77.1	Confident	133 Å²	133	93.4 Å²	93.4	71%	0.711	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	16.3	-177.8	-51.3	-54.2	0	0	0	113	S796 L800	S796-D798 PolarHBondContact O-N 2.03Å; S796-D798 VanDerWaalsContact O-N 3.1Å; S796-D798 PolarHBondContact OG-N 3.15Å; D798-L800 PolarHBondContact O-N 3.44Å
799	R	82.7	Confident	75.9	Confident	142 Å²	142	98 Å²	98	54%	0.536	49%	0.489	S	S	.	.	S	Bend	trans	60.1	24.6	-177.2	-48.3	-173.6	-171.7	-179.6	2.5	115.1	L770 H771 Y772 K773 S796	L770-R799 PolarHBondContact O-NH1 3.17Å; H771-R799 VanDerWaalsContact O-CD 3.28Å; H771-R799 WeakPolarHBondContact O-CD 3.38Å; Y772-R799 WeakPolarHBondContact CA-O 3.24Å; K773-R799 PolarHBondContact N-O 2.94Å; S796-R799 PolarHBondContact O-N 3.24Å; S796-R799 VanDerWaalsContact O-N 3.15Å
800	L	85.4	Confident	74.7	Confident	43 Å²	43	102.5 Å²	102.5	23%	0.225	50%	0.503	C	S	.	.	B	Isolated β-bridge	trans	-82.4	137.3	172.5	172.6	60.1	0	0	0	110.5	K773 F775 V795 S796 D798 T802	K773-L800 HydrophobicContact CB-CD1 4.47Å; K773-L800 WeakPolarHBondContact O-CD1 3.36Å; F775-L800 HydrophobicContact CD2-CD1 3.39Å; F775-L800 HydrophobicContact CD2-CD2 4.14Å; F775-L800 HydrophobicContact CD2-CG 4.42Å; F775-L800 HydrophobicContact CE2-CD1 3.81Å; F775-L800 HydrophobicContact CE2-CD2 4.09Å; F775-L800 HydrophobicContact CG-CD1 4.43Å; V795-L800 WeakPolarHBondContact CA-O 3.31Å; S796-L800 PolarHBondContact N-O 3.06Å; S796-L800 PolarHBondContact OG-N 3Å; D798-L800 PolarHBondContact O-N 3.44Å; L800-T802 HydrophobicContact CB-CG2 4.44Å; L800-T802 HydrophobicContact CD2-CG2 4.11Å; L800-T802 HydrophobicContact CG-CG2 3.91Å
801	C	87	Confident	73.7	Confident	1 Å²	1	100.6 Å²	100.6	1%	0.007	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	122.5	168.2	-56.4	0	0	0	0	110.9	K773 C788 R792	K773-C801 PolarHBondContact O-N 2.88Å; K773-C801 VanDerWaalsContact O-N 3.11Å; C788-C801 WeakPolarHBondContact CA-SG 3.45Å; C788-C801 HydrophobicContact CB-CB 3.7Å; C788-C801 WeakPolarHBondContact CB-SG 3.35Å; C788-C801 VanDerWaalsContact SG-CA 3.53Å; C788-C801 WeakPolarHBondContact SG-CB 3.28Å; C788-C801 CovalentContact SG-SG 2.04Å; C788-C801 PolarHBondContact SG-SG 3.45Å; R792-C801 HydrophobicContact CB-CB 4.06Å
802	T	81.4	Confident	72.8	Confident	20 Å²	20	101.1 Å²	101.1	12%	0.123	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	162.8	-172.3	60.1	0	0	0	0	112.6	R792 F794 L800	R792-T802 CarbonylContact C-O 3.58Å; R792-T802 WeakPolarHBondContact CA-O 3.44Å; F794-T802 WeakPolarHBondContact CB-O 3.18Å; F794-T802 PolarHBondContact N-O 3.11Å; F794-T802 PolarHBondContact O-N 3.34Å; F794-T802 PolarHBondContact O-OG1 3.26Å; L800-T802 HydrophobicContact CB-CG2 4.44Å; L800-T802 HydrophobicContact CD2-CG2 4.11Å; L800-T802 HydrophobicContact CG-CG2 3.91Å
803	D	79.4	Confident	72	Confident	114 Å²	114	103.2 Å²	103.2	61%	0.61	51%	0.506	S	S	*	.	S	Bend	trans	-97.5	0.2	178.4	59.2	-30.2	0	0	0	114.2
804	V	70.9	Confident	71	Confident	87 Å²	87	102.5 Å²	102.5	53%	0.527	50%	0.502	S	S	.	.	S	Bend	trans	-120.5	131	-173.6	-173.6	0	0	0	0	113	I806	V804-I806 PolarHBondContact O-N 2.89Å
805	D	69.4	Low	70.2	Confident	76 Å²	76	105.7 Å²	105.7	41%	0.406	52%	0.518	S	S	.	.			trans	-80.2	98.8	171.9	-178.6	2	0	0	0	112.2	F794 M807	F794-D805 HydrophobicContact CD1-CB 4.21Å; F794-D805 HydrophobicContact CE1-CB 4.19Å; D805-M807 VanDerWaalsContact C-N 3.32Å; D805-M807 PolarHBondContact O-N 2.77Å; D805-M807 WeakPolarHBondContact OD1-CB 3.05Å; D805-M807 PolarHBondContact OD1-N 3.46Å
806	I	66	Low	69.6	Low	89 Å²	89	107.3 Å²	107.3	46%	0.456	53%	0.528	S	S	.	.			trans	-73.6	-19.9	-179.7	-56.2	174.8	0	0	0	112.4	V804	V804-I806 PolarHBondContact O-N 2.89Å
807	M	60	Low	69.3	Low	155 Å²	155	111.9 Å²	111.9	76%	0.764	55%	0.55	S	S	*	*	H	α-helix	trans	-70.2	-36.2	-175.6	-74.1	-72.3	-173.3	0	0	112.4	D805 E809	D805-M807 VanDerWaalsContact C-N 3.32Å; D805-M807 PolarHBondContact O-N 2.77Å; D805-M807 WeakPolarHBondContact OD1-CB 3.05Å; D805-M807 PolarHBondContact OD1-N 3.46Å; M807-E809 PolarHBondContact O-N 2.95Å
808	M	57.3	Low	69.1	Low	153 Å²	153	109.1 Å²	109.1	75%	0.754	54%	0.539	S	S	*	.	H	α-helix	trans	-65.8	-31.7	-179	-98	-170.2	57.7	0	0	114
809	E	60.7	Low	68.8	Low	124 Å²	124	105.1 Å²	105.1	58%	0.579	53%	0.529	S	S	*	.	H	α-helix	trans	-76.2	-30.4	-174.2	-144.3	-156.2	137	0	0	112.9	M807 H811 K813	M807-E809 PolarHBondContact O-N 2.95Å; E809-H811 PolarHBondContact O-N 2.84Å; E809-K813 IonicContact OE1-NZ 3.59Å; E809-K813 PolarHBondContact OE1-NZ 3.46Å
810	K	59.5	Low	68.6	Low	141 Å²	141	103.2 Å²	103.2	61%	0.613	53%	0.533	S	S	*	.	H	α-helix	trans	-69.8	-32.6	-173.8	-154.7	169.1	-171.8	169.3	0	112.9	K812	K810-K812 VanDerWaalsContact C-N 3.31Å; K810-K812 PolarHBondContact O-N 2.82Å
811	H	61.1	Low	68.2	Low	153 Å²	153	104.9 Å²	104.9	71%	0.708	55%	0.545	S	S	*	.	H	α-helix	trans	-64.8	-31.3	-177.7	-115.9	-81.9	0	0	0	113.5	E809	E809-H811 PolarHBondContact O-N 2.84Å
812	K	61.2	Low	67.9	Low	183 Å²	183	108.9 Å²	108.9	80%	0.796	57%	0.569	S	S	*	*	H	α-helix	trans	-75	-29.1	-174.1	-140.8	173.7	-172.1	176.3	0	113.4	K810	K810-K812 VanDerWaalsContact C-N 3.31Å; K810-K812 PolarHBondContact O-N 2.82Å
813	K	63.1	Low	67.8	Low	136 Å²	136	110.8 Å²	110.8	59%	0.591	59%	0.587	S	S	*	*	H	α-helix	trans	-80.8	-22.9	-179.9	-68.7	172.3	-174.9	153.3	0	113	E809	E809-K813 IonicContact OE1-NZ 3.59Å; E809-K813 PolarHBondContact OE1-NZ 3.46Å
814	S	60.8	Low	67.9	Low	62 Å²	62	108.1 Å²	108.1	43%	0.434	58%	0.581	S	S	.	*	H	α-helix	trans	-73.5	-41.2	-176	-173	0	0	0	0	114.1	V816 I817	S814-V816 VanDerWaalsContact C-N 3.3Å; S814-V816 PolarHBondContact O-N 3.29Å; S814-I817 PolarHBondContact O-N 2.8Å
815	Q	62.8	Low	68.4	Low	156 Å²	156	109 Å²	109	73%	0.729	58%	0.582	S	S	*	*	H	α-helix	trans	-63.3	-30.7	-174	-74.5	-165.3	-14.2	0	0	114.4
816	V	67	Low	69.1	Low	106 Å²	106	109.2 Å²	109.2	64%	0.642	59%	0.586	S	S	*	*	H	α-helix	trans	-68.7	-37.5	-179.9	-178.9	0	0	0	0	111.6	S814	S814-V816 VanDerWaalsContact C-N 3.3Å; S814-V816 PolarHBondContact O-N 3.29Å
817	I	67.5	Low	69.7	Low	115 Å²	115	108.4 Å²	108.4	59%	0.59	59%	0.588	S	S	*	*	H	α-helix	trans	-69.1	-40.5	-176.9	-61	174.2	0	0	0	110.7	S814 G819 V820 V821	S814-I817 PolarHBondContact O-N 2.8Å; I817-G819 VanDerWaalsContact C-N 3.34Å; I817-G819 PolarHBondContact O-N 3.46Å; I817-V820 PolarHBondContact O-N 2.99Å; I817-V821 WeakPolarHBondContact O-CG2 3.07Å; I817-V821 PolarHBondContact O-N 3.48Å
818	I	70.8	Confident	70.7	Confident	103 Å²	103	106.6 Å²	106.6	53%	0.528	58%	0.581	S	S	.	*	H	α-helix	trans	-61.3	-41.8	-178.9	-63	171.1	0	0	0	111.2	V820 V821 V822	I818-V820 PolarHBondContact O-N 2.03Å; I818-V821 PolarHBondContact O-N 2.68Å; I818-V822 WeakPolarHBondContact O-CG2 3.49Å; I818-V822 PolarHBondContact O-N 3.32Å
819	G	71.6	Confident	71.8	Confident	48 Å²	48	103.2 Å²	103.2	50%	0.495	57%	0.571	S	S	.	*	H	α-helix	trans	-61.9	-38.5	-179.7	0	0	0	0	0	114.1	I817 A823	I817-G819 VanDerWaalsContact C-N 3.34Å; I817-G819 PolarHBondContact O-N 3.46Å; G819-A823 PolarHBondContact O-N 2.96Å
820	V	77.6	Confident	72.8	Confident	102 Å²	102	102 Å²	102	62%	0.618	57%	0.568	S	S	*	*	H	α-helix	trans	-70.3	-41.1	-179.9	179.3	0	0	0	0	111.5	I817 I818 V822 A823 A824	I817-V820 PolarHBondContact O-N 2.99Å; I818-V820 PolarHBondContact O-N 2.03Å; V820-V822 PolarHBondContact O-N 2.64Å; V820-A823 PolarHBondContact O-N 2.93Å; V820-A824 PolarHBondContact O-N 2.82Å
821	V	77.6	Confident	73.8	Confident	79 Å²	79	100.6 Å²	100.6	48%	0.479	57%	0.567	S	S	.	*	H	α-helix	trans	-64.7	-40.5	-179.6	174.7	0	0	0	0	111.7	I817 I818 A824 L825	I817-V821 WeakPolarHBondContact O-CG2 3.07Å; I817-V821 PolarHBondContact O-N 3.48Å; I818-V821 PolarHBondContact O-N 2.68Å; V821-A824 PolarHBondContact O-N 2.78Å; V821-L825 HydrophobicContact CG1-CD1 4.05Å; V821-L825 WeakPolarHBondContact O-CG 3.11Å; V821-L825 PolarHBondContact O-N 3.31Å; V821-L825 VanDerWaalsContact O-N 3.15Å
822	V	80.4	Confident	74.5	Confident	85 Å²	85	99.7 Å²	99.7	52%	0.515	56%	0.561	S	S	.	*	H	α-helix	trans	-63.7	-43.2	179	174.1	0	0	0	0	111.7	I818 V820 A824 L825 V826	I818-V822 WeakPolarHBondContact O-CG2 3.49Å; I818-V822 PolarHBondContact O-N 3.32Å; V820-V822 PolarHBondContact O-N 2.64Å; V822-A824 VanDerWaalsContact C-N 3.35Å; V822-A824 PolarHBondContact O-N 2.86Å; V822-L825 PolarHBondContact O-N 2.03Å; V822-V826 WeakPolarHBondContact O-CG2 3.45Å; V822-V826 PolarHBondContact O-N 3.41Å
823	A	79.6	Confident	75.3	Confident	59 Å²	59	97.6 Å²	97.6	49%	0.488	55%	0.552	S	S	.	*	H	α-helix	trans	-64.6	-37.3	179.1	0	0	0	0	0	113	G819 V820 S827	G819-A823 PolarHBondContact O-N 2.96Å; V820-A823 PolarHBondContact O-N 2.93Å; A823-S827 PolarHBondContact O-N 3.37Å; A823-S827 PolarHBondContact O-OG 3.44Å
824	A	81	Confident	75.9	Confident	59 Å²	59	95.4 Å²	95.4	49%	0.488	55%	0.546	S	S	.	.	H	α-helix	trans	-65.4	-44.6	176.1	0	0	0	0	0	112.1	V820 V821 V822 S827 L828	V820-A824 PolarHBondContact O-N 2.82Å; V821-A824 PolarHBondContact O-N 2.78Å; V822-A824 VanDerWaalsContact C-N 3.35Å; V822-A824 PolarHBondContact O-N 2.86Å; A824-S827 PolarHBondContact O-N 3.38Å; A824-L828 PolarHBondContact O-N 3.19Å; A824-L828 VanDerWaalsContact O-N 3.11Å
825	L	81.5	Confident	76.2	Confident	105 Å²	105	96.8 Å²	96.8	55%	0.55	55%	0.554	S	S	.	*	H	α-helix	trans	-64.4	-41.3	-179.7	-72.8	170.8	0	0	0	112.9	V821 V822 S827 L828 C829	V821-L825 HydrophobicContact CG1-CD1 4.05Å; V821-L825 WeakPolarHBondContact O-CG 3.11Å; V821-L825 PolarHBondContact O-N 3.31Å; V821-L825 VanDerWaalsContact O-N 3.15Å; V822-L825 PolarHBondContact O-N 2.03Å; L825-S827 VanDerWaalsContact C-N 3.33Å; L825-S827 PolarHBondContact O-N 2.74Å; L825-L828 PolarHBondContact O-N 3.12Å; L825-C829 PolarHBondContact O-N 2.76Å; L825-C829 PolarHBondContact O-SG 3.24Å
826	V	83.6	Confident	76.4	Confident	81 Å²	81	94.5 Å²	94.5	49%	0.491	55%	0.546	S	S	.	.	H	α-helix	trans	-61	-43.6	176.5	172.8	0	0	0	0	111.1	V822 L828 C829 I830	V822-V826 WeakPolarHBondContact O-CG2 3.45Å; V822-V826 PolarHBondContact O-N 3.41Å; V826-L828 VanDerWaalsContact C-N 3.32Å; V826-L828 PolarHBondContact O-N 2.97Å; V826-C829 PolarHBondContact O-N 2.71Å; V826-I830 HydrophobicContact CG1-CD1 4.1Å; V826-I830 WeakPolarHBondContact O-CG1 3.45Å; V826-I830 PolarHBondContact O-N 3.19Å; V826-I830 VanDerWaalsContact O-N 3.14Å
827	S	79.3	Confident	76.4	Confident	71 Å²	71	95.6 Å²	95.6	50%	0.497	55%	0.548	S	S	.	.	H	α-helix	trans	-62.3	-39.8	178.5	-55	0	0	0	0	112.2	A823 A824 L825 I830 L831	A823-S827 PolarHBondContact O-N 3.37Å; A823-S827 PolarHBondContact O-OG 3.44Å; A824-S827 PolarHBondContact O-N 3.38Å; L825-S827 VanDerWaalsContact C-N 3.33Å; L825-S827 PolarHBondContact O-N 2.74Å; S827-I830 PolarHBondContact O-N 3.44Å; S827-L831 PolarHBondContact O-N 2.88Å
828	L	80.8	Confident	76.2	Confident	118 Å²	118	98.4 Å²	98.4	62%	0.618	56%	0.556	S	S	*	*	H	α-helix	trans	-72.6	-36.1	-179.6	-146.4	151.7	0	0	0	111.8	A824 L825 V826 L831 F832	A824-L828 PolarHBondContact O-N 3.19Å; A824-L828 VanDerWaalsContact O-N 3.11Å; L825-L828 PolarHBondContact O-N 3.12Å; V826-L828 VanDerWaalsContact C-N 3.32Å; V826-L828 PolarHBondContact O-N 2.97Å; L828-L831 PolarHBondContact O-N 2.98Å; L828-F832 WeakPolarHBondContact O-CB 3.37Å; L828-F832 PolarHBondContact O-N 3.26Å
829	C	81.1	Confident	75.5	Confident	81 Å²	81	100.7 Å²	100.7	55%	0.547	57%	0.568	S	S	.	*	H	α-helix	trans	-64.4	-39.4	173.2	-68.1	0	0	0	0	112.8	L825 V826 F832 F833	L825-C829 PolarHBondContact O-N 2.76Å; L825-C829 PolarHBondContact O-SG 3.24Å; V826-C829 PolarHBondContact O-N 2.71Å; C829-F832 PolarHBondContact O-N 3.18Å; C829-F833 WeakPolarHBondContact O-CB 3.47Å; C829-F833 PolarHBondContact O-N 3.22Å
830	I	81.5	Confident	74.5	Confident	98 Å²	98	109.5 Å²	109.5	50%	0.503	59%	0.586	S	S	.	*	H	α-helix	trans	-65.2	-45.1	177.5	-67.3	165.9	0	0	0	110.7	V826 S827 F832 F833 I834	V826-I830 HydrophobicContact CG1-CD1 4.1Å; V826-I830 WeakPolarHBondContact O-CG1 3.45Å; V826-I830 PolarHBondContact O-N 3.19Å; V826-I830 VanDerWaalsContact O-N 3.14Å; S827-I830 PolarHBondContact O-N 3.44Å; I830-F832 PolarHBondContact O-N 2.85Å; I830-F833 PolarHBondContact O-N 3.32Å; I830-I834 HydrophobicContact CG2-CD1 4.04Å; I830-I834 WeakPolarHBondContact O-CG1 3.46Å; I830-I834 PolarHBondContact O-N 3.43Å
831	L	79.5	Confident	72.9	Confident	113 Å²	113	110.4 Å²	110.4	59%	0.592	59%	0.594	S	S	*	*	H	α-helix	trans	-60.1	-43.8	174.6	-83.2	163.9	0	0	0	112	S827 L828 F833 I834 C835	S827-L831 PolarHBondContact O-N 2.88Å; L828-L831 PolarHBondContact O-N 2.98Å; L831-F833 PolarHBondContact O-N 3.03Å; L831-I834 PolarHBondContact O-N 3.13Å; L831-C835 PolarHBondContact O-N 3.5Å; L831-C835 PolarHBondContact O-SG 2.94Å; L831-C835 VanDerWaalsContact O-SG 3.39Å
832	F	76.8	Confident	71.2	Confident	133 Å²	133	116.9 Å²	116.9	58%	0.583	62%	0.616	S	S	*	*	H	α-helix	trans	-60.9	-43.1	176.2	-171.1	-108.9	0	0	0	111.9	L828 C829 I830 I834 C835 L836	L828-F832 WeakPolarHBondContact O-CB 3.37Å; L828-F832 PolarHBondContact O-N 3.26Å; C829-F832 PolarHBondContact O-N 3.18Å; I830-F832 PolarHBondContact O-N 2.85Å; F832-I834 PolarHBondContact O-N 2.67Å; F832-C835 PolarHBondContact O-N 3.39Å; F832-L836 HydrophobicContact CD1-CD1 3.83Å; F832-L836 HydrophobicContact CD1-CG 4.41Å; F832-L836 HydrophobicContact CE1-CD1 3.63Å; F832-L836 HydrophobicContact CE1-CG 4.24Å; F832-L836 HydrophobicContact CZ-CD1 4.31Å; F832-L836 HydrophobicContact CZ-CD2 4.46Å; F832-L836 WeakPolarHBondContact O-CG 3.4Å; F832-L836 PolarHBondContact O-N 2.04Å
833	F	77	Confident	69.1	Low	140 Å²	140	117.5 Å²	117.5	61%	0.614	63%	0.63	S	S	*	*	H	α-helix	trans	-66.4	-36.4	179.1	-148	-87.2	0	0	0	112.9	C829 I830 L831 L836	C829-F833 WeakPolarHBondContact O-CB 3.47Å; C829-F833 PolarHBondContact O-N 3.22Å; I830-F833 PolarHBondContact O-N 3.32Å; L831-F833 PolarHBondContact O-N 3.03Å; F833-L836 PolarHBondContact O-N 2.91Å
834	I	75.9	Confident	67.2	Low	90 Å²	90	120.1 Å²	120.1	46%	0.462	65%	0.645	S	S	.	*	H	α-helix	trans	-66.2	-42.9	173.9	-68	167.8	0	0	0	110.8	I830 L831 F832 L836 L837	I830-I834 HydrophobicContact CG2-CD1 4.04Å; I830-I834 WeakPolarHBondContact O-CG1 3.46Å; I830-I834 PolarHBondContact O-N 3.43Å; L831-I834 PolarHBondContact O-N 3.13Å; F832-I834 PolarHBondContact O-N 2.67Å; I834-L836 VanDerWaalsContact C-N 3.3Å; I834-L836 PolarHBondContact O-N 2.96Å; I834-L837 PolarHBondContact O-N 3.19Å
835	C	67.3	Low	65.2	Low	90 Å²	90	124.6 Å²	124.6	61%	0.608	66%	0.659	S	S	*	*	H	α-helix	trans	-62.9	-34.2	176.5	-72	0	0	0	0	113	L831 F832 L837	L831-C835 PolarHBondContact O-N 3.5Å; L831-C835 PolarHBondContact O-SG 2.94Å; L831-C835 VanDerWaalsContact O-SG 3.39Å; F832-C835 PolarHBondContact O-N 3.39Å; C835-L837 PolarHBondContact O-N 3.02Å
836	L	67.3	Low	63	Low	108 Å²	108	127 Å²	127	57%	0.565	67%	0.672	S	S	*	*	H	α-helix	trans	-67.1	-18.8	176.9	-74.2	174.1	0	0	0	114.2	F832 F833 I834	F832-L836 HydrophobicContact CD1-CD1 3.83Å; F832-L836 HydrophobicContact CD1-CG 4.41Å; F832-L836 HydrophobicContact CE1-CD1 3.63Å; F832-L836 HydrophobicContact CE1-CG 4.24Å; F832-L836 HydrophobicContact CZ-CD1 4.31Å; F832-L836 HydrophobicContact CZ-CD2 4.46Å; F832-L836 WeakPolarHBondContact O-CG 3.4Å; F832-L836 PolarHBondContact O-N 2.04Å; F833-L836 PolarHBondContact O-N 2.91Å; I834-L836 VanDerWaalsContact C-N 3.3Å; I834-L836 PolarHBondContact O-N 2.96Å
837	L	67.5	Low	60.8	Low	129 Å²	129	127.3 Å²	127.3	68%	0.675	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	-14.5	-176.4	-71.8	170.8	0	0	0	114.6	I834 C835	I834-L837 PolarHBondContact O-N 3.19Å; C835-L837 PolarHBondContact O-N 3.02Å
838	F	63.6	Low	58.8	Low	174 Å²	174	132 Å²	132	76%	0.763	70%	0.697	S	S	*	*	S	Bend	trans	-104.9	-10.2	-167.4	-87	-78.9	0	0	0	117.1
839	I	55.7	Low	56.8	Low	152 Å²	152	136.9 Å²	136.9	78%	0.779	71%	0.714	S	S	*	*			trans	-136.3	116.2	-174.1	-52.5	-177.9	0	0	0	112.1
840	R	49.6	Very low	54.6	Low	233 Å²	233	141.6 Å²	141.6	88%	0.879	73%	0.725	S	S	*	*			trans	-94.8	-180	172.6	-48.9	177.9	158.6	176.6	-6	111.5
841	P	43.7	Very low	52.7	Low	120 Å²	120	144.5 Å²	144.5	78%	0.779	74%	0.736	S	S	*	*				-115.8	130.4	-108.7	29.9	-9.6	0	0	0	113.1
842	K	42.1	Very low	50.7	Low	216 Å²	216	144.4 Å²	144.4	94%	0.939	74%	0.742	S	S	*	*			trans	-141.5	149.7	172.3	-74.7	-167.3	175.7	179.3	0	113.3
843	A	36.4	Very low	48.8	Very low	98 Å²	98	145.9 Å²	145.9	81%	0.81	76%	0.756	S	S	*	*			trans	-87.8	-174.6	-173.5	0	0	0	0	0	113.4
844	S	40.5	Very low	47	Very low	114 Å²	114	145.1 Å²	145.1	80%	0.797	77%	0.765	S	S	*	*			trans	76.4	101.3	178.4	-161.3	0	0	0	0	114
845	L	38.9	Very low	45	Very low	152 Å²	152	148.1 Å²	148.1	80%	0.796	78%	0.775	S	S	*	*			cis	93.6	119.9	35.1	-162.3	96.6	0	0	0	114.3
846	L	35.6	Very low	43.1	Very low	156 Å²	156	152.6 Å²	152.6	82%	0.817	79%	0.792	S	S	*	*			trans	61.4	109.5	153.7	-91.6	158.9	0	0	0	122.6
847	A	36.7	Very low	41.5	Very low	88 Å²	88	153.8 Å²	153.8	73%	0.727	80%	0.795	S	S	*	*			trans	178.7	141.5	144.8	0	0	0	0	0	107.6
848	H	36.5	Very low	39.6	Very low	170 Å²	170	155.4 Å²	155.4	79%	0.787	80%	0.802	S	S	*	*			cis	-145.8	121.5	-6.1	-114.7	-81.1	0	0	0	106.7
849	F	39.4	Very low	38	Very low	219 Å²	219	153 Å²	153	96%	0.961	80%	0.802	S	S	*	*			trans	-126.4	150	155.7	-93.5	-76.9	0	0	0	108.2
850	K	36.1	Very low	36.8	Very low	180 Å²	180	150.4 Å²	150.4	78%	0.783	80%	0.803	S	S	*	*			trans	-111.5	115.1	-140	-176.1	176.5	177.8	-178.9	0	112.2
851	E	41.4	Very low	35.9	Very low	160 Å²	160	147.8 Å²	147.8	75%	0.748	80%	0.801	S	S	*	*			trans	32.5	156.2	138.1	-66.5	175.9	158.8	0	0	121.8
852	P	36.5	Very low	35.6	Very low	110 Å²	110	148.7 Å²	148.7	71%	0.714	80%	0.803	S	S	*	*			cis	-136	164.1	-30.6	36.4	-19.7	0	0	0	113.7
853	N	37.1	Very low	35.3	Very low	164 Å²	164	144.4 Å²	144.4	88%	0.877	80%	0.795	S	S	*	*			trans	-67.7	146.9	164.5	-67.3	-39.1	0	0	0	111
854	P	39.9	Very low	35.5	Very low	124 Å²	124	143.9 Å²	143.9	81%	0.805	78%	0.784	S	S	*	*			trans	-109.9	157.6	145.7	34.4	-26.3	0	0	0	111.6
855	K	32.3	Very low	35.4	Very low	154 Å²	154	144.9 Å²	144.9	67%	0.67	78%	0.78	S	S	*	*			trans	-63.9	151.9	-178.4	-55.5	159.2	174.6	-179.8	0	111.7	E857	K855-E857 VanDerWaalsContact C-N 3.31Å; K855-E857 HydrophobicContact CB-CB 4.26Å; K855-E857 VanDerWaalsContact CD-OE2 3.27Å; K855-E857 WeakPolarHBondContact CD-OE2 3.42Å; K855-E857 IonicContact NZ-OE1 3.18Å; K855-E857 PolarHBondContact NZ-OE1 3.03Å; K855-E857 VanDerWaalsContact NZ-OE1 3.08Å; K855-E857 IonicContact NZ-OE2 2.91Å; K855-E857 PolarHBondContact NZ-OE2 3.48Å; K855-E857 PolarHBondContact O-N 3.34Å; K855-E857 VanDerWaalsContact O-N 3.1Å
856	L	28.9	Very low	35.7	Very low	184 Å²	184	142.8 Å²	142.8	96%	0.963	77%	0.769	S	S	*	*			trans	-78.8	84	159.7	-166	74.9	0	0	0	108.3
857	E	33	Very low	36.2	Very low	133 Å²	133	139.5 Å²	139.5	62%	0.621	76%	0.764	S	S	*	*			trans	-108.6	125.7	-179.9	-153	151.7	-135.3	0	0	107.8	K855 V859	K855-E857 VanDerWaalsContact C-N 3.31Å; K855-E857 HydrophobicContact CB-CB 4.26Å; K855-E857 VanDerWaalsContact CD-OE2 3.27Å; K855-E857 WeakPolarHBondContact CD-OE2 3.42Å; K855-E857 IonicContact NZ-OE1 3.18Å; K855-E857 PolarHBondContact NZ-OE1 3.03Å; K855-E857 VanDerWaalsContact NZ-OE1 3.08Å; K855-E857 IonicContact NZ-OE2 2.91Å; K855-E857 PolarHBondContact NZ-OE2 3.48Å; K855-E857 PolarHBondContact O-N 3.34Å; K855-E857 VanDerWaalsContact O-N 3.1Å; E857-V859 PolarHBondContact O-N 3.4Å
858	I	28.5	Very low	36.7	Very low	163 Å²	163	145.1 Å²	145.1	84%	0.836	77%	0.767	S	S	*	*			trans	-77.9	111.2	-167.8	-61.4	165.1	0	0	0	109.3
859	V	29.9	Very low	37.1	Very low	123 Å²	123	145.3 Å²	145.3	75%	0.745	77%	0.773	S	S	*	*			trans	-106.2	110.6	169.9	-177.5	0	0	0	0	108.6	E857 E861	E857-V859 PolarHBondContact O-N 3.4Å; V859-E861 PolarHBondContact O-N 3.36Å
860	A	28.9	Very low	37.8	Very low	97 Å²	97	141.8 Å²	141.8	80%	0.802	76%	0.763	S	S	*	*			trans	-84.7	81.2	-177.9	0	0	0	0	0	110.9
861	E	32.4	Very low	38.8	Very low	179 Å²	179	140.9 Å²	140.9	84%	0.836	77%	0.766	S	S	*	*			trans	-157	52.2	175.7	-122.5	166.7	-135.6	0	0	112.7	V859	V859-E861 PolarHBondContact O-N 3.36Å
862	V	36.2	Very low	39.7	Very low	138 Å²	138	138 Å²	138	84%	0.836	76%	0.755	S	S	*	*			trans	-134.2	105.4	167.6	-176.8	0	0	0	0	109.2
863	T	37	Very low	41.1	Very low	126 Å²	126	139.8 Å²	139.8	77%	0.773	75%	0.747	S	S	*	*			trans	-70.5	142.7	166.5	43.4	0	0	0	0	110	N865	T863-N865 PolarHBondContact O-N 3.28Å
864	P	38.9	Very low	42.2	Very low	87 Å²	87	136 Å²	136	57%	0.565	73%	0.727	S	S	*	*			trans	-66.8	127.6	177.7	27.2	-33.2	0	0	0	110.3	L866	P864-L866 VanDerWaalsContact C-N 3.34Å; P864-L866 PolarHBondContact O-N 2.94Å
865	N	39	Very low	43.5	Very low	136 Å²	136	135.4 Å²	135.4	73%	0.727	71%	0.712	S	S	*	*			trans	-73	90.3	171.8	-173.3	-16.2	0	0	0	109.7	T863 A867	T863-N865 PolarHBondContact O-N 3.28Å; N865-A867 PolarHBondContact O-N 3.47Å; N865-A867 VanDerWaalsContact O-N 3.12Å; N865-A867 VanDerWaalsContact OD1-CB 3.22Å; N865-A867 WeakPolarHBondContact OD1-CB 3.45Å; N865-A867 PolarHBondContact OD1-N 3.48Å
866	L	46.1	Very low	45	Very low	108 Å²	108	131.7 Å²	131.7	57%	0.565	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-1.2	-178	-75	157.9	0	0	0	114.2	P864 R868 E905	P864-L866 VanDerWaalsContact C-N 3.34Å; P864-L866 PolarHBondContact O-N 2.94Å; L866-R868 VanDerWaalsContact C-N 3.26Å; L866-R868 PolarHBondContact O-N 3.39Å; L866-R868 VanDerWaalsContact O-N 3.17Å; L866-E905 HydrophobicContact CD1-CB 4.15Å
867	A	46.6	Very low	46.6	Very low	86 Å²	86	124.5 Å²	124.5	71%	0.711	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	7.4	-174.1	0	0	0	0	0	115.7	N865	N865-A867 PolarHBondContact O-N 3.47Å; N865-A867 VanDerWaalsContact O-N 3.12Å; N865-A867 VanDerWaalsContact OD1-CB 3.22Å; N865-A867 WeakPolarHBondContact OD1-CB 3.45Å; N865-A867 PolarHBondContact OD1-N 3.48Å
868	R	46.3	Very low	48	Very low	207 Å²	207	121.2 Å²	121.2	78%	0.781	65%	0.646	S	S	*	*			trans	-138.3	90.8	-179.3	-64.4	-174.6	77.2	169.2	3.9	113.7	L866 L870	L866-R868 VanDerWaalsContact C-N 3.26Å; L866-R868 PolarHBondContact O-N 3.39Å; L866-R868 VanDerWaalsContact O-N 3.17Å; R868-L870 PolarHBondContact O-N 3.29Å
869	L	45.9	Very low	49.9	Very low	174 Å²	174	123.6 Å²	123.6	91%	0.911	64%	0.644	S	S	*	*			trans	-63.8	108.3	159.8	-94.5	151.6	0	0	0	110.1
870	L	54	Low	51.2	Low	145 Å²	145	119.9 Å²	119.9	76%	0.759	63%	0.631	S	S	*	*			trans	-85.2	109	172.7	-84	162.4	0	0	0	110.2	R868 I872	R868-L870 PolarHBondContact O-N 3.29Å; L870-I872 PolarHBondContact O-N 3.05Å; L870-I872 VanDerWaalsContact O-N 3.14Å
871	L	55.7	Low	53	Low	160 Å²	160	117.2 Å²	117.2	84%	0.838	61%	0.613	S	S	*	*			trans	-74.5	97.5	174	-71	167.3	0	0	0	110.8
872	I	61.5	Low	54.2	Low	99 Å²	99	114 Å²	114	51%	0.508	61%	0.605	S	S	.	*			trans	-78.2	125.6	170.5	-55.6	175.5	0	0	0	108.9	L870 E876 L877	L870-I872 PolarHBondContact O-N 3.05Å; L870-I872 VanDerWaalsContact O-N 3.14Å; I872-E876 HydrophobicContact CG2-CB 4.35Å; I872-L877 HydrophobicContact CG2-CD1 4.12Å; I872-L877 HydrophobicContact CG2-CG 3.92Å
873	R	64.5	Low	55.2	Low	149 Å²	149	113.4 Å²	113.4	56%	0.562	60%	0.597	S	S	*	*			trans	-87.6	144.6	-179	-65.2	175.9	-68.5	-165	-4.1	110.7	F875 E876	R873-F875 VanDerWaalsContact C-N 3.25Å; R873-F875 HydrophobicContact CB-CD1 3.8Å; R873-F875 HydrophobicContact CB-CE1 3.69Å; R873-F875 HydrophobicContact CG-CE1 4.38Å; R873-F875 PolarHBondContact O-N 3.36Å; R873-F875 VanDerWaalsContact O-N 3.11Å; R873-E876 HydrophobicContact CB-CG 4.37Å; R873-E876 IonicContact CZ-OE1 3.92Å; R873-E876 VanDerWaalsContact CZ-OE1 3.25Å; R873-E876 IonicContact NE-OE1 2.82Å; R873-E876 PolarHBondContact NE-OE1 3.21Å; R873-E876 IonicContact NH2-OE1 3.96Å; R873-E876 PolarHBondContact NH2-OE1 3.04Å; R873-E876 WeakPolarHBondContact O-CB 3.2Å; R873-E876 PolarHBondContact O-N 2.97Å
874	D	60.6	Low	56.7	Low	85 Å²	85	107.6 Å²	107.6	46%	0.455	56%	0.561	S	S	.	*	H	α-helix	trans	-53	-39.7	-174.6	-169.1	-0.3	0	0	0	112.8	E876 L877 N878 K888	D874-E876 PolarHBondContact O-N 2.98Å; D874-L877 PolarHBondContact O-N 2.74Å; D874-N878 PolarHBondContact O-N 3.15Å; D874-N878 VanDerWaalsContact O-N 3.07Å; D874-N878 PolarHBondContact O-ND2 2.77Å; D874-N878 PolarHBondContact OD1-ND2 3.38Å; D874-K888 IonicContact OD1-NZ 3.64Å; D874-K888 PolarHBondContact OD1-NZ 3.33Å; D874-K888 IonicContact OD2-NZ 2.63Å; D874-K888 PolarHBondContact OD2-NZ 3.19Å
875	F	67.5	Low	58.1	Low	110 Å²	110	110.7 Å²	110.7	48%	0.482	56%	0.563	S	S	.	*	H	α-helix	trans	-63.5	-22.9	177.4	83.1	-95.2	0	0	0	114.4	R873	R873-F875 VanDerWaalsContact C-N 3.25Å; R873-F875 HydrophobicContact CB-CD1 3.8Å; R873-F875 HydrophobicContact CB-CE1 3.69Å; R873-F875 HydrophobicContact CG-CE1 4.38Å; R873-F875 PolarHBondContact O-N 3.36Å; R873-F875 VanDerWaalsContact O-N 3.11Å
876	E	64.6	Low	59.5	Low	77 Å²	77	109.9 Å²	109.9	36%	0.36	56%	0.555	S	S	.	*	H	α-helix	trans	-78.2	-36.8	178	-60.9	175.5	-168.7	0	0	110.5	I872 R873 D874 R879	I872-E876 HydrophobicContact CG2-CB 4.35Å; R873-E876 HydrophobicContact CB-CG 4.37Å; R873-E876 IonicContact CZ-OE1 3.92Å; R873-E876 VanDerWaalsContact CZ-OE1 3.25Å; R873-E876 IonicContact NE-OE1 2.82Å; R873-E876 PolarHBondContact NE-OE1 3.21Å; R873-E876 IonicContact NH2-OE1 3.96Å; R873-E876 PolarHBondContact NH2-OE1 3.04Å; R873-E876 WeakPolarHBondContact O-CB 3.2Å; R873-E876 PolarHBondContact O-N 2.97Å; D874-E876 PolarHBondContact O-N 2.98Å; E876-R879 WeakPolarHBondContact O-CB 3.16Å; E876-R879 PolarHBondContact O-N 3.39Å
877	L	62.2	Low	60.7	Low	32 Å²	32	108.3 Å²	108.3	17%	0.168	55%	0.547	C	S	.	.	H	α-helix	trans	-66.8	-43.1	171.9	-77.5	159	0	0	0	112.1	I872 D874 R879 G880 G884 L887 F891	I872-L877 HydrophobicContact CG2-CD1 4.12Å; I872-L877 HydrophobicContact CG2-CG 3.92Å; D874-L877 PolarHBondContact O-N 2.74Å; L877-R879 PolarHBondContact O-N 3.26Å; L877-G880 PolarHBondContact O-N 2.79Å; L877-G880 VanDerWaalsContact O-N 3.13Å; L877-G884 WeakPolarHBondContact O-CA 3.4Å; L877-L887 HydrophobicContact CD2-CB 4.16Å; L877-F891 HydrophobicContact CD1-CD2 4.37Å; L877-F891 HydrophobicContact CD2-CD2 4.18Å; L877-F891 HydrophobicContact CD2-CE2 4.05Å
878	N	61.8	Low	62	Low	64 Å²	64	107.1 Å²	107.1	34%	0.342	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-7.9	178.5	-60.8	-52.4	0	0	0	113.6	D874	D874-N878 PolarHBondContact O-N 3.15Å; D874-N878 VanDerWaalsContact O-N 3.07Å; D874-N878 PolarHBondContact O-ND2 2.77Å; D874-N878 PolarHBondContact OD1-ND2 3.38Å
879	R	67.8	Low	63.3	Low	214 Å²	214	102.3 Å²	102.3	81%	0.808	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-11.2	175.5	-132.5	174.8	-172.7	166.9	2.4	113.5	E876 L877	E876-R879 WeakPolarHBondContact O-CB 3.16Å; E876-R879 PolarHBondContact O-N 3.39Å; L877-R879 PolarHBondContact O-N 3.26Å
880	G	58.5	Low	64.6	Low	44 Å²	44	97.8 Å²	97.8	45%	0.454	49%	0.491	S	S	.	.	S	Bend	trans	-88.3	7.4	-172.6	0	0	0	0	0	117	L877 G884	L877-G880 PolarHBondContact O-N 2.79Å; L877-G880 VanDerWaalsContact O-N 3.13Å; G880-G884 PolarHBondContact O-N 3.47Å
881	G	66.7	Low	65.6	Low	41 Å²	41	95.4 Å²	95.4	42%	0.423	48%	0.475	S	S	.	.	H	α-helix	trans	62.3	-143.8	-177.3	0	0	0	0	0	112.8	L883 G884 Y885	G881-L883 VanDerWaalsContact C-N 3.32Å; G881-L883 PolarHBondContact O-N 2.86Å; G881-G884 WeakPolarHBondContact O-CA 2.98Å; G881-G884 PolarHBondContact O-N 3.49Å; G881-Y885 WeakPolarHBondContact O-CD2 3.46Å; G881-Y885 PolarHBondContact O-N 3.02Å
882	V	57.3	Low	66.6	Low	113 Å²	113	91.1 Å²	91.1	69%	0.685	46%	0.455	S	S	*	.	H	α-helix	trans	-56.2	-44.1	-177	-178.2	0	0	0	0	112.1	G884 Y885 E886	V882-G884 VanDerWaalsContact C-N 3.27Å; V882-G884 PolarHBondContact O-N 2.02Å; V882-Y885 PolarHBondContact O-N 3.22Å; V882-E886 PolarHBondContact O-N 2.81Å
883	L	56.9	Low	67	Low	125 Å²	125	92.9 Å²	92.9	65%	0.654	46%	0.459	S	S	*	.	H	α-helix	trans	-60.1	-35.4	175.5	-80.4	147.1	0	0	0	112.5	G881 L887	G881-L883 VanDerWaalsContact C-N 3.32Å; G881-L883 PolarHBondContact O-N 2.86Å; L883-L887 WeakPolarHBondContact O-CB 3.02Å; L883-L887 WeakPolarHBondContact O-CD1 3.4Å; L883-L887 WeakPolarHBondContact O-CG 3.34Å; L883-L887 PolarHBondContact O-N 3.25Å
884	G	68.7	Low	67.4	Low	3 Å²	3	89.2 Å²	89.2	3%	0.031	45%	0.449	C	S	.	.	H	α-helix	trans	-66.4	-36.3	176.8	0	0	0	0	0	113.4	L877 G880 G881 V882 K888	L877-G884 WeakPolarHBondContact O-CA 3.4Å; G880-G884 PolarHBondContact O-N 3.47Å; G881-G884 WeakPolarHBondContact O-CA 2.98Å; G881-G884 PolarHBondContact O-N 3.49Å; V882-G884 VanDerWaalsContact C-N 3.27Å; V882-G884 PolarHBondContact O-N 2.02Å; G884-K888 WeakPolarHBondContact O-CB 3.45Å; G884-K888 PolarHBondContact O-N 3.46Å
885	Y	67.3	Low	67.9	Low	152 Å²	152	89 Å²	89	60%	0.596	46%	0.459	S	S	*	.	H	α-helix	trans	-70.8	-43.6	175.5	-79.4	-79.9	0	0	0	112.3	G881 V882 K888 D889	G881-Y885 WeakPolarHBondContact O-CD2 3.46Å; G881-Y885 PolarHBondContact O-N 3.02Å; V882-Y885 PolarHBondContact O-N 3.22Å; Y885-K888 WeakPolarHBondContact O-CB 3.43Å; Y885-K888 PolarHBondContact O-N 3.14Å; Y885-D889 PolarHBondContact O-N 3.42Å
886	E	68.6	Low	68.2	Low	119 Å²	119	91.9 Å²	91.9	56%	0.556	47%	0.471	S	S	*	.	H	α-helix	trans	-63.2	-42.5	175.7	-68.3	-176.2	160.3	0	0	111.7	V882 K888 D889 I890	V882-E886 PolarHBondContact O-N 2.81Å; E886-K888 VanDerWaalsContact C-N 3.32Å; E886-K888 PolarHBondContact O-N 3.34Å; E886-D889 PolarHBondContact O-N 3.3Å; E886-I890 VanDerWaalsContact O-CG1 3.27Å; E886-I890 WeakPolarHBondContact O-CG1 3.38Å; E886-I890 PolarHBondContact O-N 3.15Å
887	L	71.4	Confident	68.1	Low	76 Å²	76	91.7 Å²	91.7	40%	0.398	47%	0.473	S	S	.	.	H	α-helix	trans	-59.3	-41.1	172.5	-84.7	160.4	0	0	0	112	L877 L883 I890 F891	L877-L887 HydrophobicContact CD2-CB 4.16Å; L883-L887 WeakPolarHBondContact O-CB 3.02Å; L883-L887 WeakPolarHBondContact O-CD1 3.4Å; L883-L887 WeakPolarHBondContact O-CG 3.34Å; L883-L887 PolarHBondContact O-N 3.25Å; L887-I890 PolarHBondContact O-N 3.37Å; L887-F891 HydrophobicContact CB-CD2 4.41Å; L887-F891 HydrophobicContact CB-CE2 4.4Å; L887-F891 HydrophobicContact CD2-CE2 3.95Å; L887-F891 WeakPolarHBondContact O-CB 3.45Å; L887-F891 WeakPolarHBondContact O-CD2 3.28Å; L887-F891 PolarHBondContact O-N 3.11Å
888	K	75.2	Confident	68	Low	60 Å²	60	93.5 Å²	93.5	26%	0.261	49%	0.486	S	S	.	.	H	α-helix	trans	-61.4	-45.9	176.7	-175.5	167.1	-177	154.6	0	112	D874 G884 Y885 E886 I890 F891 V892	D874-K888 IonicContact OD1-NZ 3.64Å; D874-K888 PolarHBondContact OD1-NZ 3.33Å; D874-K888 IonicContact OD2-NZ 2.63Å; D874-K888 PolarHBondContact OD2-NZ 3.19Å; G884-K888 WeakPolarHBondContact O-CB 3.45Å; G884-K888 PolarHBondContact O-N 3.46Å; Y885-K888 WeakPolarHBondContact O-CB 3.43Å; Y885-K888 PolarHBondContact O-N 3.14Å; E886-K888 VanDerWaalsContact C-N 3.32Å; E886-K888 PolarHBondContact O-N 3.34Å; K888-I890 VanDerWaalsContact C-N 3.33Å; K888-I890 PolarHBondContact O-N 3.49Å; K888-F891 PolarHBondContact O-N 2.83Å; K888-V892 WeakPolarHBondContact O-CB 3.48Å; K888-V892 VanDerWaalsContact O-CG2 3.27Å; K888-V892 WeakPolarHBondContact O-CG2 3.31Å; K888-V892 PolarHBondContact O-N 2.03Å
889	D	72.7	Confident	68	Low	106 Å²	106	92.6 Å²	92.6	57%	0.567	49%	0.492	S	S	*	.	H	α-helix	trans	-66.1	-34.2	176.9	-85.1	-8.5	0	0	0	112.8	Y885 E886 K893	Y885-D889 PolarHBondContact O-N 3.42Å; E886-D889 PolarHBondContact O-N 3.3Å; D889-K893 WeakPolarHBondContact O-CG 3.31Å; D889-K893 PolarHBondContact O-N 3.49Å
890	I	72.2	Confident	67.9	Low	79 Å²	79	90.6 Å²	90.6	41%	0.405	48%	0.484	S	S	.	.	H	α-helix	trans	-68.5	-48.4	174.3	-68.9	166.2	0	0	0	110.6	E886 L887 K888 V892 K893 M894	E886-I890 VanDerWaalsContact O-CG1 3.27Å; E886-I890 WeakPolarHBondContact O-CG1 3.38Å; E886-I890 PolarHBondContact O-N 3.15Å; L887-I890 PolarHBondContact O-N 3.37Å; K888-I890 VanDerWaalsContact C-N 3.33Å; K888-I890 PolarHBondContact O-N 3.49Å; I890-V892 VanDerWaalsContact C-N 3.31Å; I890-V892 PolarHBondContact O-N 3.25Å; I890-K893 WeakPolarHBondContact O-CB 3.01Å; I890-K893 PolarHBondContact O-N 3.49Å; I890-K893 VanDerWaalsContact O-N 3.09Å; I890-M894 HydrophobicContact CG2-CE 3.57Å; I890-M894 HydrophobicContact CG2-CG 4.45Å; I890-M894 HydrophobicContact CG2-SD 3.89Å; I890-M894 WeakPolarHBondContact O-CG 3.47Å; I890-M894 PolarHBondContact O-N 3.12Å
891	F	76.8	Confident	68.1	Low	96 Å²	96	93.5 Å²	93.5	42%	0.421	48%	0.483	S	S	.	.	H	α-helix	trans	-61.2	-37.4	176.1	-79.4	-59.3	0	0	0	112.3	L877 L887 K888 M894 A895	L877-F891 HydrophobicContact CD1-CD2 4.37Å; L877-F891 HydrophobicContact CD2-CD2 4.18Å; L877-F891 HydrophobicContact CD2-CE2 4.05Å; L887-F891 HydrophobicContact CB-CD2 4.41Å; L887-F891 HydrophobicContact CB-CE2 4.4Å; L887-F891 HydrophobicContact CD2-CE2 3.95Å; L887-F891 WeakPolarHBondContact O-CB 3.45Å; L887-F891 WeakPolarHBondContact O-CD2 3.28Å; L887-F891 PolarHBondContact O-N 3.11Å; K888-F891 PolarHBondContact O-N 2.83Å; F891-M894 HydrophobicContact CD1-SD 4.4Å; F891-M894 PolarHBondContact O-N 3.4Å; F891-A895 VanDerWaalsContact O-CB 3.29Å; F891-A895 WeakPolarHBondContact O-CB 3.05Å; F891-A895 PolarHBondContact O-N 3.45Å
892	V	74.9	Confident	67.5	Low	69 Å²	69	96.3 Å²	96.3	42%	0.418	49%	0.487	S	S	.	.	H	α-helix	trans	-66.5	-35.6	173.8	169	0	0	0	0	112	K888 I890 K896	K888-V892 WeakPolarHBondContact O-CB 3.48Å; K888-V892 VanDerWaalsContact O-CG2 3.27Å; K888-V892 WeakPolarHBondContact O-CG2 3.31Å; K888-V892 PolarHBondContact O-N 2.03Å; I890-V892 VanDerWaalsContact C-N 3.31Å; I890-V892 PolarHBondContact O-N 3.25Å; V892-K896 WeakPolarHBondContact O-CG 3.47Å; V892-K896 PolarHBondContact O-N 3.4Å
893	K	70.8	Confident	67.3	Low	136 Å²	136	97 Å²	97	59%	0.591	49%	0.491	S	S	*	.	H	α-helix	trans	-67.9	-40.7	172.4	-75.6	168.9	-176.7	169.9	0	112	D889 I890 K896	D889-K893 WeakPolarHBondContact O-CG 3.31Å; D889-K893 PolarHBondContact O-N 3.49Å; I890-K893 WeakPolarHBondContact O-CB 3.01Å; I890-K893 PolarHBondContact O-N 3.49Å; I890-K893 VanDerWaalsContact O-N 3.09Å; K893-K896 PolarHBondContact O-N 2.03Å
894	M	72.6	Confident	67.2	Low	73 Å²	73	94 Å²	94	36%	0.36	48%	0.478	S	S	.	.	H	α-helix	trans	-66.1	-41.4	176.9	-68	171.8	169	0	0	111.9	I890 F891 K896 D897 Y901	I890-M894 HydrophobicContact CG2-CE 3.57Å; I890-M894 HydrophobicContact CG2-CG 4.45Å; I890-M894 HydrophobicContact CG2-SD 3.89Å; I890-M894 WeakPolarHBondContact O-CG 3.47Å; I890-M894 PolarHBondContact O-N 3.12Å; F891-M894 HydrophobicContact CD1-SD 4.4Å; F891-M894 PolarHBondContact O-N 3.4Å; M894-K896 VanDerWaalsContact C-N 3.26Å; M894-K896 PolarHBondContact O-N 2.89Å; M894-D897 CarbonylContact O-C 3.48Å; M894-D897 VanDerWaalsContact O-C 3.29Å; M894-D897 PolarHBondContact O-N 3.47Å; M894-Y901 HydrophobicContact CB-CD2 4.27Å; M894-Y901 HydrophobicContact CB-CG 4.29Å; M894-Y901 HydrophobicContact CG-CD1 4.22Å; M894-Y901 HydrophobicContact CG-CD2 4.14Å; M894-Y901 HydrophobicContact CG-CG 3.8Å
895	A	72.1	Confident	66	Low	79 Å²	79	100.9 Å²	100.9	65%	0.653	51%	0.51	S	S	*	.	H	α-helix	trans	-68.6	-20.1	178.5	0	0	0	0	0	114.2	F891	F891-A895 VanDerWaalsContact O-CB 3.29Å; F891-A895 WeakPolarHBondContact O-CB 3.05Å; F891-A895 PolarHBondContact O-N 3.45Å
896	K	72.5	Confident	65.2	Low	171 Å²	171	97.3 Å²	97.3	74%	0.743	52%	0.519	S	S	*	.	H	α-helix	trans	-78.7	-21.2	175.2	-79.9	178.2	178.3	-175.5	0	113.9	V892 K893 M894	V892-K896 WeakPolarHBondContact O-CG 3.47Å; V892-K896 PolarHBondContact O-N 3.4Å; K893-K896 PolarHBondContact O-N 2.03Å; M894-K896 VanDerWaalsContact C-N 3.26Å; M894-K896 PolarHBondContact O-N 2.89Å
897	D	63.4	Low	64.3	Low	73 Å²	73	94.9 Å²	94.9	39%	0.39	51%	0.51	S	S	.	.			trans	-146.4	68	-178.9	-176	6.2	0	0	0	109.8	M894 G899 R900 Y901	M894-D897 CarbonylContact O-C 3.48Å; M894-D897 VanDerWaalsContact O-C 3.29Å; M894-D897 PolarHBondContact O-N 3.47Å; D897-G899 PolarHBondContact O-N 2.79Å; D897-R900 HydrophobicContact CB-CB 4.36Å; D897-R900 VanDerWaalsContact CG-CB 3.43Å; D897-R900 PolarHBondContact O-N 3.45Å; D897-R900 PolarHBondContact OD1-N 2.92Å; D897-R900 WeakPolarHBondContact OD2-CB 3.46Å; D897-R900 VanDerWaalsContact OD2-CD 3.27Å; D897-R900 WeakPolarHBondContact OD2-CD 3.44Å; D897-Y901 HydrophobicContact CB-CE2 4.31Å; D897-Y901 VanDerWaalsContact O-CD2 3.3Å; D897-Y901 WeakPolarHBondContact O-CD2 3.3Å
898	P	60.6	Low	63.2	Low	70 Å²	70	95.4 Å²	95.4	46%	0.455	53%	0.525	S	S	.	.	H	α-helix	trans	-60.2	-30	-176.7	23.8	-33.3	0	0	0	112	R900 Y901 L902	P898-R900 PolarHBondContact O-N 2.88Å; P898-R900 VanDerWaalsContact O-N 3.16Å; P898-Y901 PolarHBondContact O-N 3.03Å; P898-L902 HydrophobicContact CB-CB 4.33Å; P898-L902 WeakPolarHBondContact O-CA 3.12Å; P898-L902 WeakPolarHBondContact O-CB 3.39Å; P898-L902 PolarHBondContact O-N 2.9Å
899	G	60.9	Low	61.9	Low	45 Å²	45	99.9 Å²	99.9	46%	0.464	55%	0.551	S	S	.	*	H	α-helix	trans	-62.8	-19.6	176.9	0	0	0	0	0	114.6	D897	D897-G899 PolarHBondContact O-N 2.79Å
900	R	65.4	Low	60.5	Low	172 Å²	172	97.9 Å²	97.9	65%	0.649	54%	0.54	S	S	*	.	H	α-helix	trans	-96.7	-22	179	-170.6	173.7	-162.4	-116.7	6.1	114.6	D897 P898	D897-R900 HydrophobicContact CB-CB 4.36Å; D897-R900 VanDerWaalsContact CG-CB 3.43Å; D897-R900 PolarHBondContact O-N 3.45Å; D897-R900 PolarHBondContact OD1-N 2.92Å; D897-R900 WeakPolarHBondContact OD2-CB 3.46Å; D897-R900 VanDerWaalsContact OD2-CD 3.27Å; D897-R900 WeakPolarHBondContact OD2-CD 3.44Å; P898-R900 PolarHBondContact O-N 2.88Å; P898-R900 VanDerWaalsContact O-N 3.16Å
901	Y	62.6	Low	59.3	Low	106 Å²	106	104.8 Å²	104.8	42%	0.416	56%	0.561	S	S	.	*	H	α-helix	trans	-123.8	-10.8	-173.6	-55.6	-78.3	0	0	0	114.5	M894 D897 P898	M894-Y901 HydrophobicContact CB-CD2 4.27Å; M894-Y901 HydrophobicContact CB-CG 4.29Å; M894-Y901 HydrophobicContact CG-CD1 4.22Å; M894-Y901 HydrophobicContact CG-CD2 4.14Å; M894-Y901 HydrophobicContact CG-CG 3.8Å; D897-Y901 HydrophobicContact CB-CE2 4.31Å; D897-Y901 VanDerWaalsContact O-CD2 3.3Å; D897-Y901 WeakPolarHBondContact O-CD2 3.3Å; P898-Y901 PolarHBondContact O-N 3.03Å
902	L	55.6	Low	57.7	Low	99 Å²	99	107.1 Å²	107.1	52%	0.518	58%	0.577	S	S	.	*			trans	-122	78.7	-171.7	-138.6	160.1	0	0	0	109.3	P898 V904 L910	P898-L902 HydrophobicContact CB-CB 4.33Å; P898-L902 WeakPolarHBondContact O-CA 3.12Å; P898-L902 WeakPolarHBondContact O-CB 3.39Å; P898-L902 PolarHBondContact O-N 2.9Å; L902-V904 HydrophobicContact CD2-CG2 3.38Å; L902-V904 PolarHBondContact O-N 3.26Å; L902-V904 VanDerWaalsContact O-N 3.16Å; L902-L910 WeakPolarHBondContact O-CD1 3.11Å
903	V	51.9	Low	56	Low	127 Å²	127	109 Å²	109	77%	0.77	59%	0.591	S	S	*	*			trans	-78.5	95.5	172.7	-178	0	0	0	0	108.4
904	V	54.4	Low	54.5	Low	63 Å²	63	106.7 Å²	106.7	38%	0.382	60%	0.597	S	S	.	*			trans	-84.9	111.1	168.9	-179.1	0	0	0	0	108.1	L902 G906 D907	L902-V904 HydrophobicContact CD2-CG2 3.38Å; L902-V904 PolarHBondContact O-N 3.26Å; L902-V904 VanDerWaalsContact O-N 3.16Å; V904-G906 PolarHBondContact O-N 3.45Å; V904-D907 HydrophobicContact CB-CB 3.69Å; V904-D907 HydrophobicContact CG1-CB 3.9Å; V904-D907 PolarHBondContact O-N 3.4Å
905	E	43.4	Very low	53.2	Low	147 Å²	147	110.2 Å²	110.2	69%	0.687	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	105.8	168.8	-72.5	-168.6	125	0	0	109.4	L866	L866-E905 HydrophobicContact CD1-CB 4.15Å
906	G	50.3	Low	52.4	Low	78 Å²	78	109.3 Å²	109.3	80%	0.804	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	107.9	0.2	179.7	0	0	0	0	0	116.5	V904 A908	V904-G906 PolarHBondContact O-N 3.45Å; G906-A908 PolarHBondContact O-N 3.44Å
907	D	50.2	Low	51.3	Low	68 Å²	68	105.8 Å²	105.8	36%	0.364	59%	0.588	S	S	.	*			trans	-72	113.9	174.3	-178.8	4.5	0	0	0	111.9	V904 L909 L910	V904-D907 HydrophobicContact CB-CB 3.69Å; V904-D907 HydrophobicContact CG1-CB 3.9Å; V904-D907 PolarHBondContact O-N 3.4Å; D907-L909 VanDerWaalsContact C-N 3.34Å; D907-L909 WeakPolarHBondContact OD1-CB 3.43Å; D907-L909 PolarHBondContact OD1-N 3.46Å; D907-L910 HydrophobicContact CB-CB 4.3Å
908	A	49.2	Very low	50.9	Low	86 Å²	86	106.5 Å²	106.5	71%	0.711	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-10.6	-179.6	0	0	0	0	0	114.3	G906	G906-A908 PolarHBondContact O-N 3.44Å
909	L	47.4	Very low	51.1	Low	154 Å²	154	106 Å²	106	81%	0.806	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-11.4	177.6	-69.1	168.5	0	0	0	112.9	D907 R911	D907-L909 VanDerWaalsContact C-N 3.34Å; D907-L909 WeakPolarHBondContact OD1-CB 3.43Å; D907-L909 PolarHBondContact OD1-N 3.46Å; L909-R911 PolarHBondContact O-N 3.34Å
910	L	43.5	Very low	50.9	Low	65 Å²	65	109 Å²	109	34%	0.34	59%	0.585	S	S	.	*			trans	-75.2	71.2	177.1	-139.9	147.9	0	0	0	111	L902 D907 L912	L902-L910 WeakPolarHBondContact O-CD1 3.11Å; D907-L910 HydrophobicContact CB-CB 4.3Å; L910-L912 PolarHBondContact O-N 3.4Å
911	R	46.4	Very low	50.7	Low	224 Å²	224	105.3 Å²	105.3	85%	0.845	57%	0.571	S	S	*	*			trans	-69.4	90.5	172.4	-73.5	-178.6	174.7	157.2	-1.2	109.9	L909	L909-R911 PolarHBondContact O-N 3.34Å
912	L	43	Very low	50.8	Low	144 Å²	144	104.1 Å²	104.1	75%	0.754	57%	0.569	S	S	*	*			trans	-47.7	128.9	138.8	-75.9	168.3	0	0	0	107	L910 A914	L910-L912 PolarHBondContact O-N 3.4Å; L912-A914 PolarHBondContact O-N 3.35Å; L912-A914 VanDerWaalsContact O-N 3.07Å
913	P	39.5	Very low	50.9	Low	110 Å²	110	102.5 Å²	102.5	71%	0.714	56%	0.559	S	S	*	*			trans	-54.8	122	-177.1	21	-31.6	0	0	0	108.8	Y915	P913-Y915 PolarHBondContact O-N 3.4Å
914	A	40	Very low	51.4	Low	86 Å²	86	100.8 Å²	100.8	71%	0.711	55%	0.545	S	S	*	.			trans	-71.9	105.6	-175.4	0	0	0	0	0	108.3	L912 T916	L912-A914 PolarHBondContact O-N 3.35Å; L912-A914 VanDerWaalsContact O-N 3.07Å; A914-T916 PolarHBondContact O-N 3.4Å
915	Y	45.6	Very low	51.7	Low	148 Å²	148	103.3 Å²	103.3	58%	0.58	55%	0.548	S	S	*	.			trans	-47	110.8	171.6	-77.7	-87.3	0	0	0	109.5	P913 D919 M923	P913-Y915 PolarHBondContact O-N 3.4Å; Y915-D919 HydrophobicContact CD1-CB 3.52Å; Y915-D919 HydrophobicContact CE1-CB 4.37Å; Y915-D919 HydrophobicContact CG-CB 4.29Å; Y915-M923 HydrophobicContact CD1-CE 3.29Å; Y915-M923 HydrophobicContact CD1-CG 4.45Å; Y915-M923 HydrophobicContact CD1-SD 4.13Å; Y915-M923 HydrophobicContact CD2-CE 4.18Å; Y915-M923 HydrophobicContact CE1-CE 3.38Å; Y915-M923 HydrophobicContact CE1-CG 3.88Å; Y915-M923 HydrophobicContact CE1-SD 3.54Å; Y915-M923 VanDerWaalsContact CE1-SD 3.54Å; Y915-M923 HydrophobicContact CE2-CE 4.21Å; Y915-M923 HydrophobicContact CE2-SD 4.49Å; Y915-M923 HydrophobicContact CG-CE 3.74Å
916	T	54.7	Low	52.5	Low	60 Å²	60	103.2 Å²	103.2	37%	0.368	55%	0.547	S	S	.	.			trans	-67.4	166.2	173.6	66.2	0	0	0	0	109.7	A914 Q918 D919 Q920	A914-T916 PolarHBondContact O-N 3.4Å; T916-Q918 PolarHBondContact O-N 3.24Å; T916-Q918 PolarHBondContact OG1-N 3.41Å; T916-D919 WeakPolarHBondContact CA-OD2 3.49Å; T916-D919 VanDerWaalsContact CB-OD2 3.23Å; T916-D919 WeakPolarHBondContact CB-OD2 3.29Å; T916-D919 VanDerWaalsContact CG2-OD2 3.28Å; T916-D919 WeakPolarHBondContact CG2-OD2 3.4Å; T916-D919 PolarHBondContact N-OD2 3.03Å; T916-D919 PolarHBondContact O-N 3.15Å; T916-D919 PolarHBondContact OG1-N 3.1Å; T916-D919 PolarHBondContact OG1-OD2 3.23Å; T916-Q920 PolarHBondContact O-N 3.46Å
917	P	49	Very low	52.6	Low	96 Å²	96	103.6 Å²	103.6	62%	0.623	53%	0.53	S	S	*	.	H	α-helix	trans	-58.3	-18.1	170.1	-25.6	35.8	0	0	0	113.5	R921	P917-R921 WeakPolarHBondContact O-CB 3.44Å; P917-R921 VanDerWaalsContact O-CG 3.3Å; P917-R921 WeakPolarHBondContact O-CG 3.39Å; P917-R921 PolarHBondContact O-N 3.28Å
918	Q	56.3	Low	53	Low	88 Å²	88	106.5 Å²	106.5	41%	0.411	55%	0.545	S	S	.	.	H	α-helix	trans	-83	-44.7	172.1	-67.5	-179.4	-80.8	0	0	111	T916 Q920 R921 E922	T916-Q918 PolarHBondContact O-N 3.24Å; T916-Q918 PolarHBondContact OG1-N 3.41Å; Q918-Q920 PolarHBondContact O-N 2.94Å; Q918-R921 CarbonylContact O-C 3.57Å; Q918-R921 WeakPolarHBondContact O-CA 3.19Å; Q918-R921 PolarHBondContact O-N 3.03Å; Q918-E922 WeakPolarHBondContact O-CB 3.44Å; Q918-E922 PolarHBondContact O-N 2.99Å
919	D	64.1	Low	53.4	Low	61 Å²	61	108.7 Å²	108.7	33%	0.326	54%	0.544	S	S	.	.	H	α-helix	trans	-65.3	-28	174.1	-45	-53.8	0	0	0	111.8	Y915 T916 M923	Y915-D919 HydrophobicContact CD1-CB 3.52Å; Y915-D919 HydrophobicContact CE1-CB 4.37Å; Y915-D919 HydrophobicContact CG-CB 4.29Å; T916-D919 WeakPolarHBondContact CA-OD2 3.49Å; T916-D919 VanDerWaalsContact CB-OD2 3.23Å; T916-D919 WeakPolarHBondContact CB-OD2 3.29Å; T916-D919 VanDerWaalsContact CG2-OD2 3.28Å; T916-D919 WeakPolarHBondContact CG2-OD2 3.4Å; T916-D919 PolarHBondContact N-OD2 3.03Å; T916-D919 PolarHBondContact O-N 3.15Å; T916-D919 PolarHBondContact OG1-N 3.1Å; T916-D919 PolarHBondContact OG1-OD2 3.23Å; D919-M923 WeakPolarHBondContact O-CB 3.38Å; D919-M923 PolarHBondContact O-N 3.08Å
920	Q	55.6	Low	53.3	Low	107 Å²	107	105 Å²	105	50%	0.5	53%	0.525	S	S	.	.	H	α-helix	trans	-69.3	-43.1	167.3	-78.7	-165.9	-55.7	0	0	112	T916 Q918 E922 M923 I924	T916-Q920 PolarHBondContact O-N 3.46Å; Q918-Q920 PolarHBondContact O-N 2.94Å; Q920-E922 VanDerWaalsContact C-N 3.27Å; Q920-E922 PolarHBondContact O-N 3.11Å; Q920-M923 PolarHBondContact O-N 2.86Å; Q920-I924 VanDerWaalsContact O-CB 3.24Å; Q920-I924 WeakPolarHBondContact O-CB 3.44Å; Q920-I924 WeakPolarHBondContact O-CD1 3.42Å; Q920-I924 WeakPolarHBondContact O-CG1 3.46Å; Q920-I924 PolarHBondContact O-N 2.65Å
921	R	62.5	Low	53.7	Low	95 Å²	95	108 Å²	108	36%	0.358	55%	0.549	S	S	.	.	H	α-helix	trans	-70.2	-22.6	175.1	-76.5	179	178.6	-171.7	-3.6	113.1	P917 Q918 R925 I1060 C1061 E1063	P917-R921 WeakPolarHBondContact O-CB 3.44Å; P917-R921 VanDerWaalsContact O-CG 3.3Å; P917-R921 WeakPolarHBondContact O-CG 3.39Å; P917-R921 PolarHBondContact O-N 3.28Å; Q918-R921 CarbonylContact O-C 3.57Å; Q918-R921 WeakPolarHBondContact O-CA 3.19Å; Q918-R921 PolarHBondContact O-N 3.03Å; R921-R925 WeakPolarHBondContact O-CB 3Å; R921-R925 PolarHBondContact O-N 3.31Å; R921-I1060 HydrophobicContact CB-CD1 3.83Å; R921-I1060 HydrophobicContact CB-CG2 4.35Å; R921-C1061 PolarHBondContact NH1-O 2.04Å; R921-E1063 IonicContact CZ-OE1 2.64Å; R921-E1063 IonicContact NH1-OE1 3.53Å; R921-E1063 IonicContact NH2-OE1 2.63Å; R921-E1063 PolarHBondContact NH2-OE1 3.39Å
922	E	63.9	Low	54	Low	81 Å²	81	105.7 Å²	105.7	38%	0.379	55%	0.548	S	S	.	.	H	α-helix	trans	-85	-37.4	173.1	-74.5	-179.8	159.5	0	0	112	Q918 Q920 R925 Q926 I1060	Q918-E922 WeakPolarHBondContact O-CB 3.44Å; Q918-E922 PolarHBondContact O-N 2.99Å; Q920-E922 VanDerWaalsContact C-N 3.27Å; Q920-E922 PolarHBondContact O-N 3.11Å; E922-R925 PolarHBondContact O-N 3.33Å; E922-Q926 VanDerWaalsContact O-CB 3.3Å; E922-Q926 WeakPolarHBondContact O-CB 3.4Å; E922-Q926 VanDerWaalsContact O-CG 3.27Å; E922-Q926 WeakPolarHBondContact O-CG 3.06Å; E922-Q926 PolarHBondContact O-N 3.34Å; E922-I1060 HydrophobicContact CG-CD1 3.69Å
923	M	58.5	Low	54.2	Low	64 Å²	64	102.9 Å²	102.9	32%	0.315	54%	0.537	S	S	.	.	H	α-helix	trans	-60.4	-46.1	163.9	-97.6	-166.9	-53.1	0	0	111	Y915 D919 Q920 R925 Q926 L927	Y915-M923 HydrophobicContact CD1-CE 3.29Å; Y915-M923 HydrophobicContact CD1-CG 4.45Å; Y915-M923 HydrophobicContact CD1-SD 4.13Å; Y915-M923 HydrophobicContact CD2-CE 4.18Å; Y915-M923 HydrophobicContact CE1-CE 3.38Å; Y915-M923 HydrophobicContact CE1-CG 3.88Å; Y915-M923 HydrophobicContact CE1-SD 3.54Å; Y915-M923 VanDerWaalsContact CE1-SD 3.54Å; Y915-M923 HydrophobicContact CE2-CE 4.21Å; Y915-M923 HydrophobicContact CE2-SD 4.49Å; Y915-M923 HydrophobicContact CG-CE 3.74Å; D919-M923 WeakPolarHBondContact O-CB 3.38Å; D919-M923 PolarHBondContact O-N 3.08Å; Q920-M923 PolarHBondContact O-N 2.86Å; M923-R925 VanDerWaalsContact C-N 3.32Å; M923-R925 PolarHBondContact O-N 3.28Å; M923-Q926 CarbonylContact O-C 3.4Å; M923-Q926 PolarHBondContact O-N 3.45Å; M923-L927 HydrophobicContact CB-CD1 4.48Å; M923-L927 VanDerWaalsContact O-CB 3.27Å; M923-L927 WeakPolarHBondContact O-CB 3.49Å; M923-L927 WeakPolarHBondContact O-CD1 3.38Å; M923-L927 WeakPolarHBondContact O-CG 3.45Å; M923-L927 PolarHBondContact O-N 2.91Å
924	I	62.5	Low	54.6	Low	92 Å²	92	103.1 Å²	103.1	47%	0.472	54%	0.536	S	S	.	.	H	α-helix	trans	-64.2	-37.8	178.6	-70.8	164.6	0	0	0	110.5	Q920 L927 I928	Q920-I924 VanDerWaalsContact O-CB 3.24Å; Q920-I924 WeakPolarHBondContact O-CB 3.44Å; Q920-I924 WeakPolarHBondContact O-CD1 3.42Å; Q920-I924 WeakPolarHBondContact O-CG1 3.46Å; Q920-I924 PolarHBondContact O-N 2.65Å; I924-L927 PolarHBondContact O-N 3.47Å; I924-I928 HydrophobicContact CG2-CD1 3.58Å; I924-I928 HydrophobicContact CG2-CG1 4.43Å; I924-I928 VanDerWaalsContact O-CB 3.3Å; I924-I928 WeakPolarHBondContact O-CB 3.2Å; I924-I928 WeakPolarHBondContact O-CD1 3.22Å; I924-I928 WeakPolarHBondContact O-CG1 3.4Å; I924-I928 PolarHBondContact O-N 2.97Å
925	R	61	Low	54.7	Low	116 Å²	116	103.8 Å²	103.8	44%	0.438	53%	0.527	S	S	.	.	H	α-helix	trans	-64.4	-46.1	169.3	-95	-173.1	164.2	87.1	-2.2	112.6	R921 E922 M923 L927 I928 D929	R921-R925 WeakPolarHBondContact O-CB 3Å; R921-R925 PolarHBondContact O-N 3.31Å; E922-R925 PolarHBondContact O-N 3.33Å; M923-R925 VanDerWaalsContact C-N 3.32Å; M923-R925 PolarHBondContact O-N 3.28Å; R925-L927 PolarHBondContact O-N 3.26Å; R925-I928 CarbonylContact O-C 3.55Å; R925-I928 PolarHBondContact O-N 3.05Å; R925-D929 WeakPolarHBondContact O-CB 3.43Å; R925-D929 PolarHBondContact O-N 3.36Å
926	Q	60.5	Low	54.5	Low	144 Å²	144	101.6 Å²	101.6	67%	0.673	53%	0.531	S	S	*	.	H	α-helix	trans	-67.3	-22.7	178.9	-74	174.9	-0.9	0	0	113	E922 M923 D930	E922-Q926 VanDerWaalsContact O-CB 3.3Å; E922-Q926 WeakPolarHBondContact O-CB 3.4Å; E922-Q926 VanDerWaalsContact O-CG 3.27Å; E922-Q926 WeakPolarHBondContact O-CG 3.06Å; E922-Q926 PolarHBondContact O-N 3.34Å; M923-Q926 CarbonylContact O-C 3.4Å; M923-Q926 PolarHBondContact O-N 3.45Å; Q926-D930 WeakPolarHBondContact O-CB 3.41Å; Q926-D930 PolarHBondContact O-N 2.95Å
927	L	52.2	Low	54.3	Low	86 Å²	86	105.7 Å²	105.7	45%	0.45	55%	0.551	S	S	.	*	H	α-helix	trans	-87.1	-17.3	171.6	-72.3	161.5	0	0	0	113	M923 I924 R925 V933	M923-L927 HydrophobicContact CB-CD1 4.48Å; M923-L927 VanDerWaalsContact O-CB 3.27Å; M923-L927 WeakPolarHBondContact O-CB 3.49Å; M923-L927 WeakPolarHBondContact O-CD1 3.38Å; M923-L927 WeakPolarHBondContact O-CG 3.45Å; M923-L927 PolarHBondContact O-N 2.91Å; I924-L927 PolarHBondContact O-N 3.47Å; R925-L927 PolarHBondContact O-N 3.26Å; L927-V933 HydrophobicContact CD2-CG2 4.29Å; L927-V933 VanDerWaalsContact O-CB 3.3Å; L927-V933 WeakPolarHBondContact O-CB 3.39Å; L927-V933 WeakPolarHBondContact O-CG2 3.45Å
928	I	58.5	Low	54.2	Low	129 Å²	129	108.8 Å²	108.8	66%	0.662	56%	0.557	S	S	*	*	H	α-helix	trans	-94.1	-27.5	174.6	-72.6	168.2	0	0	0	111.2	I924 R925 D930	I924-I928 HydrophobicContact CG2-CD1 3.58Å; I924-I928 HydrophobicContact CG2-CG1 4.43Å; I924-I928 VanDerWaalsContact O-CB 3.3Å; I924-I928 WeakPolarHBondContact O-CB 3.2Å; I924-I928 WeakPolarHBondContact O-CD1 3.22Å; I924-I928 WeakPolarHBondContact O-CG1 3.4Å; I924-I928 PolarHBondContact O-N 2.97Å; R925-I928 CarbonylContact O-C 3.55Å; R925-I928 PolarHBondContact O-N 3.05Å; I928-D930 VanDerWaalsContact C-N 3.33Å
929	D	55.9	Low	53.6	Low	132 Å²	132	114 Å²	114	71%	0.706	57%	0.574	S	S	*	*	S	Bend	trans	-89.3	3.7	171.7	-70.1	-43	0	0	0	112.3	R925	R925-D929 WeakPolarHBondContact O-CB 3.43Å; R925-D929 PolarHBondContact O-N 3.36Å
930	D	47.2	Very low	52.3	Low	76 Å²	76	119.7 Å²	119.7	41%	0.406	60%	0.596	S	S	.	*	S	Bend	trans	-89.9	117.9	171.5	-161.3	-8.5	0	0	0	109.8	Q926 I928 E932 V933	Q926-D930 WeakPolarHBondContact O-CB 3.41Å; Q926-D930 PolarHBondContact O-N 2.95Å; I928-D930 VanDerWaalsContact C-N 3.33Å; D930-E932 PolarHBondContact O-N 2.74Å; D930-V933 HydrophobicContact CB-CG2 4.29Å; D930-V933 PolarHBondContact O-N 2.95Å
931	P	51.6	Low	51.5	Low	129 Å²	129	119.9 Å²	119.9	84%	0.838	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	11.6	-172.9	27.2	-36.4	0	0	0	116.3
932	E	51.8	Low	50.2	Low	175 Å²	175	120.5 Å²	120.5	82%	0.818	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122	6.7	-178.4	-63.3	-166.6	155.8	0	0	115.1	D930	D930-E932 PolarHBondContact O-N 2.74Å
933	V	46.9	Very low	48.9	Very low	86 Å²	86	121.1 Å²	121.1	52%	0.521	65%	0.654	S	S	.	*			trans	-105.2	123.7	-179.4	-174.9	0	0	0	0	112.2	L927 D930	L927-V933 HydrophobicContact CD2-CG2 4.29Å; L927-V933 VanDerWaalsContact O-CB 3.3Å; L927-V933 WeakPolarHBondContact O-CB 3.39Å; L927-V933 WeakPolarHBondContact O-CG2 3.45Å; D930-V933 HydrophobicContact CB-CG2 4.29Å; D930-V933 PolarHBondContact O-N 2.95Å
934	V	48	Very low	48	Very low	115 Å²	115	123.2 Å²	123.2	70%	0.697	67%	0.673	S	S	*	*			trans	-92.7	142	-173.8	179.2	0	0	0	0	112.2
935	D	43.4	Very low	46.7	Very low	99 Å²	99	124.5 Å²	124.5	53%	0.529	69%	0.685	S	S	.	*			trans	-67	126.7	179.9	-165.9	-34.1	0	0	0	112.4	D937 E938	D935-D937 PolarHBondContact O-N 2.81Å; D935-D937 PolarHBondContact OD1-N 3.11Å; D935-E938 PolarHBondContact O-N 3.5Å
936	P	40.9	Very low	45.6	Very low	103 Å²	103	124.1 Å²	124.1	67%	0.669	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-60.3	-23.9	177.8	-24.6	35.1	0	0	0	115.6	E938	P936-E938 VanDerWaalsContact C-N 3.29Å; P936-E938 PolarHBondContact O-N 3.02Å
937	D	49.4	Very low	44.5	Very low	146 Å²	146	122.5 Å²	122.5	78%	0.781	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-79.9	-9.1	-177	-76.3	-24.4	0	0	0	113.3	D935 Y939	D935-D937 PolarHBondContact O-N 2.81Å; D935-D937 PolarHBondContact OD1-N 3.11Å; D937-Y939 VanDerWaalsContact C-N 3.31Å; D937-Y939 PolarHBondContact O-N 3.28Å
938	E	47	Very low	44	Very low	161 Å²	161	124.1 Å²	124.1	75%	0.752	72%	0.72	S	S	*	*	G	3₁₀ helix	trans	-82.3	-5.8	175.2	-149.3	169.5	-157.5	0	0	113.1	D935 P936	D935-E938 PolarHBondContact O-N 3.5Å; P936-E938 VanDerWaalsContact C-N 3.29Å; P936-E938 PolarHBondContact O-N 3.02Å
939	Y	43.3	Very low	43.1	Very low	196 Å²	196	123.4 Å²	123.4	77%	0.769	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-87.8	-7.6	-170.8	-150.6	-98.5	0	0	0	115.8	D937	D937-Y939 VanDerWaalsContact C-N 3.31Å; D937-Y939 PolarHBondContact O-N 3.28Å
940	F	38.1	Very low	42.3	Very low	181 Å²	181	123.2 Å²	123.2	79%	0.794	73%	0.727	S	S	*	*	S	Bend	trans	-126	11.7	-169.1	-76.6	-72.6	0	0	0	117.1
941	S	38.1	Very low	41.5	Very low	112 Å²	112	124.8 Å²	124.8	78%	0.783	74%	0.744	S	S	*	*			trans	-134.8	74.5	179.8	-69.1	0	0	0	0	114.1
942	A	34.6	Very low	41.1	Very low	108 Å²	108	124 Å²	124	89%	0.893	74%	0.739	S	S	*	*			trans	-67.9	133.9	167.4	0	0	0	0	0	111.7
943	A	37.9	Very low	40.2	Very low	93 Å²	93	121.3 Å²	121.3	77%	0.769	74%	0.735	S	S	*	*			trans	-70.6	-169.9	-179.9	0	0	0	0	0	112.3
944	P	38.7	Very low	39.9	Very low	109 Å²	109	125 Å²	125	71%	0.708	75%	0.748	S	S	*	*			cis	-137.8	170.8	18.5	30.4	-3.9	0	0	0	116
945	T	36.6	Very low	39.1	Very low	119 Å²	119	125.5 Å²	125.5	73%	0.73	75%	0.746	S	S	*	*				178.2	142.4	80.9	32	0	0	0	0	114.1
946	S	37	Very low	38.7	Very low	108 Å²	108	131 Å²	131	76%	0.755	76%	0.76	S	S	*	*			trans	56	148.1	146.7	61	0	0	0	0	122.7
947	S	38.5	Very low	38.3	Very low	109 Å²	109	135.5 Å²	135.5	76%	0.762	77%	0.769	S	S	*	*			cis	-171.9	153.6	-37.6	37.8	0	0	0	0	110.4
948	P	40.9	Very low	37.7	Very low	121 Å²	121	133.6 Å²	133.6	79%	0.786	76%	0.764	S	S	*	*			trans	-89.8	-165.2	-174.4	42.5	-41.8	0	0	0	112.6
949	P	39.1	Very low	37.1	Very low	113 Å²	113	133.1 Å²	133.1	73%	0.734	77%	0.766	S	S	*	*			cis	-144.5	-168.9	9	40.4	-16.9	0	0	0	117.7
950	V	38.4	Very low	36.8	Very low	129 Å²	129	130.4 Å²	130.4	78%	0.782	76%	0.764	S	S	*	*				157	131	127.1	167.8	0	0	0	0	113.5
951	S	32.3	Very low	36.7	Very low	109 Å²	109	130.6 Å²	130.6	76%	0.762	77%	0.767	S	S	*	*			trans	-124.9	160.3	164.4	-64.6	0	0	0	0	110.7
952	P	42.2	Very low	36.5	Very low	111 Å²	111	131 Å²	131	72%	0.721	76%	0.76	S	S	*	*				-142.2	132.2	120.9	32.3	-16.4	0	0	0	112.8
953	T	33.6	Very low	36.5	Very low	119 Å²	119	135.2 Å²	135.2	73%	0.73	75%	0.753	S	S	*	*				67.4	132.8	76	-45.5	0	0	0	0	115.2
954	M	38.9	Very low	36.3	Very low	165 Å²	165	138.4 Å²	138.4	81%	0.813	75%	0.752	S	S	*	*			trans	129.4	145	159.9	-70.4	-74.8	179.8	0	0	111.8
955	L	32.6	Very low	36	Very low	124 Å²	124	137.1 Å²	137.1	65%	0.649	75%	0.75	S	S	*	*			cis	-169.5	133	-28	-164.5	80.5	0	0	0	109.2
956	R	34.9	Very low	35.8	Very low	215 Å²	215	142.4 Å²	142.4	81%	0.811	76%	0.757	S	S	*	*			trans	49.9	120.3	151.9	-75.6	173.9	-176.5	-170.7	0.4	120.8
957	K	32.8	Very low	35.6	Very low	197 Å²	197	143.3 Å²	143.3	86%	0.857	76%	0.757	S	S	*	*				100.5	168.4	75.2	-117.1	-164.1	177.2	-174.5	0	112.8
958	P	36.5	Very low	35.3	Very low	106 Å²	106	142.8 Å²	142.8	69%	0.688	75%	0.754	S	S	*	*				-126.5	-171.3	-119.8	43.4	-25.6	0	0	0	114.5
959	L	34.9	Very low	34.9	Very low	151 Å²	151	142.1 Å²	142.1	79%	0.791	75%	0.751	S	S	*	*			trans	175.8	126.2	154	-92.7	150.9	0	0	0	105.9
960	I	35.3	Very low	34.7	Very low	140 Å²	140	141.7 Å²	141.7	72%	0.718	75%	0.75	S	S	*	*				46.3	109.7	72.7	-53.6	175.6	0	0	0	112
961	E	37.9	Very low	34.5	Very low	185 Å²	185	141.9 Å²	141.9	86%	0.864	75%	0.746	S	S	*	*				-171.6	162.8	96.5	-149.2	137.1	-127.6	0	0	111.8
962	D	32.2	Very low	34.9	Very low	119 Å²	119	142.6 Å²	142.6	64%	0.636	74%	0.737	S	S	*	*			trans	-95.8	159.2	-177.5	-176	27.8	0	0	0	111.3
963	R	34.9	Very low	34.4	Very low	197 Å²	197	146.1 Å²	146.1	74%	0.743	74%	0.736	S	S	*	*			trans	62	147.9	167.5	-70.9	162.1	-164.2	-139.2	-1.8	116.7
964	E	33.6	Very low	34.6	Very low	161 Å²	161	148.3 Å²	148.3	75%	0.752	74%	0.738	S	S	*	*			cis	-170.4	154.4	26.8	-137.8	165.6	-134.7	0	0	109.9
965	A	32.2	Very low	34.4	Very low	81 Å²	81	145.3 Å²	145.3	67%	0.669	73%	0.729	S	S	*	*			trans	64.7	154.9	148.5	0	0	0	0	0	119.2
966	R	32.2	Very low	34.5	Very low	230 Å²	230	144.8 Å²	144.8	87%	0.868	74%	0.736	S	S	*	*			cis	-169.8	162.7	-14.2	-114.2	177.1	-174.6	169.9	3.8	108.4
967	V	33.7	Very low	34.4	Very low	127 Å²	127	138.4 Å²	138.4	77%	0.77	73%	0.729	S	S	*	*			trans	65.4	107.2	150.1	170	0	0	0	0	116
968	S	32.9	Very low	34.3	Very low	99 Å²	99	135.5 Å²	135.5	69%	0.692	73%	0.728	S	S	*	*				84	114.7	59.5	-179.6	0	0	0	0	114.9
969	C	32.3	Very low	34	Very low	107 Å²	107	134.1 Å²	134.1	72%	0.723	72%	0.72	S	S	*	*				172.2	125.7	128.5	-99.1	0	0	0	0	109.1
970	C	35.2	Very low	33.8	Very low	104 Å²	104	134.1 Å²	134.1	70%	0.703	72%	0.716	S	S	*	*				59.2	136.7	97.7	-61.3	0	0	0	0	113.5
971	N	34.3	Very low	33.6	Very low	133 Å²	133	135.9 Å²	135.9	71%	0.711	71%	0.714	S	S	*	*			cis	-174.2	156.7	12.5	-122.5	-31	0	0	0	104.5
972	Q	39.6	Very low	33.4	Very low	123 Å²	123	136 Å²	136	58%	0.575	71%	0.708	S	S	*	*				168.9	143.5	59.2	-125.2	172.7	70	0	0	108.8
973	R	32.7	Very low	33.4	Very low	186 Å²	186	134.4 Å²	134.4	70%	0.702	71%	0.711	S	S	*	*			trans	63.4	149.1	136.5	-71.1	170	-174.6	171.9	-7.5	120.5
974	H	36.2	Very low	33.6	Very low	164 Å²	164	131.2 Å²	131.2	76%	0.759	72%	0.719	S	S	*	*			cis	-162.5	154.6	7.7	-119.3	-35.5	0	0	0	112.6
975	T	34.9	Very low	33.6	Very low	102 Å²	102	131 Å²	131	63%	0.626	72%	0.723	S	S	*	*			trans	59.4	115.8	144.9	56.8	0	0	0	0	120.1
976	S	34.4	Very low	34.1	Very low	114 Å²	114	131.5 Å²	131.5	80%	0.797	72%	0.719	S	S	*	*				102	144.3	76.3	-70.4	0	0	0	0	111.2
977	A	34.1	Very low	34	Very low	80 Å²	80	127.7 Å²	127.7	66%	0.661	72%	0.715	S	S	*	*			cis	-168	162.3	-11.3	0	0	0	0	0	109.4
978	V	31.2	Very low	34	Very low	137 Å²	137	129.8 Å²	129.8	83%	0.83	71%	0.714	S	S	*	*				50.6	134.8	126.7	169.2	0	0	0	0	118.5
979	S	29.8	Very low	34.1	Very low	76 Å²	76	132.7 Å²	132.7	53%	0.531	72%	0.722	S	S	.	*			cis	-168.9	159.4	3.4	-118	0	0	0	0	111.1
980	Q	30.8	Very low	34.2	Very low	151 Å²	151	136.1 Å²	136.1	71%	0.706	73%	0.729	S	S	*	*			trans	35.5	142.4	133.6	-50.8	162.4	-12.4	0	0	121.1
981	R	31.3	Very low	34.4	Very low	177 Å²	177	136.8 Å²	136.8	67%	0.668	73%	0.733	S	S	*	*				165.6	149	93.5	-84.3	-167	-158.6	-158.4	8	114.7
982	Y	33.9	Very low	34.4	Very low	188 Å²	188	133.9 Å²	133.9	74%	0.737	73%	0.734	S	S	*	*			trans	58.8	121.8	160.7	-53.6	-53.3	0	0	0	118
983	A	32.2	Very low	33.9	Very low	85 Å²	85	135.5 Å²	135.5	70%	0.702	75%	0.745	S	S	*	*			cis	79.9	121.6	44.2	0	0	0	0	0	114.9
984	S	38.4	Very low	34	Very low	131 Å²	131	133.9 Å²	133.9	92%	0.916	75%	0.751	S	S	*	*			trans	174.2	154.4	135.4	-75.8	0	0	0	0	111.9
985	D	33.6	Very low	33.6	Very low	157 Å²	157	132.1 Å²	132.1	84%	0.84	75%	0.752	S	S	*	*			trans	-108.5	-151.7	-164.6	-159.8	22.7	0	0	0	111.5
986	P	42.1	Very low	33.5	Very low	90 Å²	90	132.8 Å²	132.8	58%	0.584	76%	0.761	S	S	*	*				-126.5	-152.5	-120	42.5	-22.8	0	0	0	115.1
987	L	30.7	Very low	33.3	Very low	150 Å²	150	136.9 Å²	136.9	79%	0.785	76%	0.764	S	S	*	*			trans	94.7	143.5	155.8	-82.4	156.5	0	0	0	121.9
988	K	32.6	Very low	33.2	Very low	171 Å²	171	143.2 Å²	143.2	74%	0.743	78%	0.777	S	S	*	*			trans	82.9	102.7	153.8	-73.4	163.6	-178.2	178.3	0	120.8
989	N	35.9	Very low	33.1	Very low	161 Å²	161	140.7 Å²	140.7	86%	0.861	77%	0.765	S	S	*	*				176.8	135.7	91.5	-88.6	-27	0	0	0	114.9
990	M	33.8	Very low	33.3	Very low	178 Å²	178	143.7 Å²	143.7	88%	0.877	78%	0.776	S	S	*	*			trans	-95.2	-172.6	159.9	-121.3	-170.3	-163.4	0	0	108.4
991	P	40.2	Very low	33.3	Very low	119 Å²	119	142 Å²	142	77%	0.773	78%	0.781	S	S	*	*			cis	-131.7	-172.9	-27.8	37.1	-19.4	0	0	0	112.2
992	G	33.5	Very low	33.6	Very low	71 Å²	71	138.2 Å²	138.2	73%	0.732	78%	0.779	S	S	*	*			trans	168.8	103.3	162.4	0	0	0	0	0	119.8
993	L	30.4	Very low	33.4	Very low	157 Å²	157	135.2 Å²	135.2	82%	0.822	78%	0.78	S	S	*	*			trans	0.8	133.9	154.3	-77.5	65.3	0	0	0	120
994	N	34	Very low	33.2	Very low	152 Å²	152	138.2 Å²	138.2	81%	0.813	78%	0.784	S	S	*	*				-170.1	154.8	82.5	-113.7	-25.3	0	0	0	115.1
995	T	28.1	Very low	32.8	Very low	128 Å²	128	137.4 Å²	137.4	79%	0.785	77%	0.774	S	S	*	*			trans	-108.8	133.1	-176.3	50.7	0	0	0	0	112.6
996	S	33.2	Very low	32.5	Very low	116 Å²	116	135.4 Å²	135.4	81%	0.811	77%	0.767	S	S	*	*			trans	-170.9	114	145.8	53.2	0	0	0	0	113.8
997	K	28.8	Very low	32.2	Very low	199 Å²	199	137.7 Å²	137.7	87%	0.865	78%	0.775	S	S	*	*			trans	-3.1	132.1	138.9	-72	176.4	168.3	-177.6	0	117.2
998	F	32.9	Very low	32.2	Very low	213 Å²	213	136.9 Å²	136.9	93%	0.934	78%	0.775	S	S	*	*				-148.5	154.8	121.6	-111.5	-78.4	0	0	0	109.8
999	S	28.2	Very low	32.4	Very low	84 Å²	84	132.7 Å²	132.7	59%	0.587	76%	0.759	S	S	*	*			trans	-109.8	176.6	-165.3	47.2	0	0	0	0	113.6
1000	D	33.9	Very low	32.3	Very low	139 Å²	139	129.3 Å²	129.3	74%	0.743	74%	0.74	S	S	*	*			trans	88.6	88.5	154.4	-48.6	-50.7	0	0	0	119.5
1001	S	32.5	Very low	32.3	Very low	116 Å²	116	131.3 Å²	131.3	81%	0.811	74%	0.74	S	S	*	*				48.4	163.5	111.6	-86.5	0	0	0	0	122.9
1002	P	36.5	Very low	31.8	Very low	97 Å²	97	133.5 Å²	133.5	63%	0.63	74%	0.744	S	S	*	*			cis	-138.3	-176.5	-14.6	38.5	-20.1	0	0	0	115.2
1003	T	29.8	Very low	31.7	Very low	126 Å²	126	137 Å²	137	77%	0.773	75%	0.745	S	S	*	*			trans	62.3	150.3	161.8	52.9	0	0	0	0	117.2
1004	L	28	Very low	31.8	Very low	147 Å²	147	135 Å²	135	77%	0.77	74%	0.741	S	S	*	*			cis	-147.3	166.2	6.3	-146.7	71.5	0	0	0	105.8
1005	T	30.1	Very low	31.5	Very low	115 Å²	115	133.7 Å²	133.7	71%	0.706	73%	0.734	S	S	*	*			cis	-148.1	-166.3	12.4	-34.8	0	0	0	0	108.2
1006	T	28.1	Very low	31.7	Very low	115 Å²	115	132.3 Å²	132.3	71%	0.706	73%	0.73	S	S	*	*			trans	-138.8	132.4	169.7	49	0	0	0	0	109.8
1007	D	34	Very low	31.4	Very low	138 Å²	138	135 Å²	135	74%	0.738	73%	0.729	S	S	*	*			trans	-113.6	121.3	164.1	-76.2	-39.3	0	0	0	108.6
1008	V	32.2	Very low	31.5	Very low	132 Å²	132	134.7 Å²	134.7	80%	0.8	73%	0.731	S	S	*	*			trans	-131.8	120.8	-178.3	176.8	0	0	0	0	107.8
1009	E	35.3	Very low	31.3	Very low	84 Å²	84	128.7 Å²	128.7	39%	0.393	72%	0.721	S	S	.	*			trans	-137.4	121.7	173.5	-76	-138.5	77.5	0	0	112.3	H564 G574 P575	H564-E1009 IonicContact CD2-OE1 3.08Å; H564-E1009 PolarHBondContact CD2-OE1 2.83Å; H564-E1009 IonicContact CD2-OE2 3.91Å; H564-E1009 IonicContact NE2-OE1 3.2Å; H564-E1009 PolarHBondContact NE2-OE1 3.43Å; G574-E1009 VanDerWaalsContact CA-CD 3.44Å; G574-E1009 WeakPolarHBondContact CA-OE2 3.19Å; G574-E1009 PolarHBondContact N-OE2 3.23Å; P575-E1009 WeakPolarHBondContact CD-OE1 3.39Å
1010	N	33.9	Very low	31.4	Very low	90 Å²	90	130.9 Å²	130.9	48%	0.481	73%	0.733	S	S	.	*			trans	61.2	119.7	145	-51.4	-35.3	0	0	0	119.4	H564	H564-N1010 PolarHBondContact NE2-ND2 3.24Å
1011	Y	34.5	Very low	31.1	Very low	219 Å²	219	133.2 Å²	133.2	86%	0.859	74%	0.739	S	S	*	*				-161.7	117.2	110	-95.7	-67.1	0	0	0	112
1012	L	30.5	Very low	30.9	Very low	165 Å²	165	131.4 Å²	131.4	86%	0.864	74%	0.74	S	S	*	*			trans	11.4	122.7	157.2	-64	160.9	0	0	0	120
1013	I	31.4	Very low	30.5	Very low	146 Å²	146	135 Å²	135	75%	0.749	75%	0.752	S	S	*	*			trans	-106.5	135.2	169.6	-59.3	171.4	0	0	0	109.6
1014	P	31.9	Very low	30.4	Very low	115 Å²	115	133.9 Å²	133.9	75%	0.747	75%	0.75	S	S	*	*			trans	-80.7	132.4	165.4	-6.1	23.9	0	0	0	111.7	S1016	P1014-S1016 PolarHBondContact O-N 3.07Å
1015	D	27.1	Very low	30.6	Very low	123 Å²	123	132.9 Å²	132.9	66%	0.658	75%	0.752	S	S	*	*			trans	-61.3	120.9	176.8	-107.1	-32.8	0	0	0	112.7
1016	S	32	Very low	30.4	Very low	100 Å²	100	132.7 Å²	132.7	70%	0.699	75%	0.754	S	S	*	*			trans	-144.4	66.7	161.7	73.8	0	0	0	0	112.2	P1014	P1014-S1016 PolarHBondContact O-N 3.07Å
1017	Q	28.4	Very low	30.6	Very low	171 Å²	171	133.9 Å²	133.9	80%	0.799	76%	0.756	S	S	*	*			trans	-95.8	105.4	164.6	-71.2	-165.5	-2.9	0	0	111.2
1018	Q	31.1	Very low	30.4	Very low	193 Å²	193	135.1 Å²	135.1	90%	0.902	76%	0.763	S	S	*	*			trans	-126.7	107.9	151.3	-88.2	-176.4	-31.5	0	0	107.8
1019	A	27.9	Very low	30.3	Very low	88 Å²	88	132.4 Å²	132.4	73%	0.727	76%	0.761	S	S	*	*			trans	-76.4	137.2	177.7	0	0	0	0	0	110.7	Q1021	A1019-Q1021 PolarHBondContact O-N 3.05Å
1020	P	29.9	Very low	30	Very low	130 Å²	130	134 Å²	134	84%	0.844	78%	0.777	S	S	*	*			trans	-77.6	108	169.1	30.7	-31	0	0	0	109.7
1021	Q	27.1	Very low	29.7	Very low	187 Å²	187	140 Å²	140	87%	0.874	80%	0.799	S	S	*	*			trans	-99	106.1	160.4	-73.4	-172.6	-6.9	0	0	108.4	A1019	A1019-Q1021 PolarHBondContact O-N 3.05Å
1022	G	29.3	Very low	29.5	Very low	79 Å²	79	137.6 Å²	137.6	81%	0.814	80%	0.798	S	S	*	*			trans	-136.2	89.3	176.2	0	0	0	0	0	109.8
1023	L	28.8	Very low	29.4	Very low	172 Å²	172	133.3 Å²	133.3	90%	0.901	79%	0.786	S	S	*	*			trans	-79.5	151.6	169.7	-86.9	152.3	0	0	0	110.2
1024	S	26.1	Very low	29.3	Very low	102 Å²	102	137.5 Å²	137.5	71%	0.713	79%	0.794	S	S	*	*			trans	-57.4	157.5	179.5	53.1	0	0	0	0	114.9
1025	P	33	Very low	29.3	Very low	127 Å²	127	135.7 Å²	135.7	83%	0.825	80%	0.796	S	S	*	*			trans	-119.8	130.3	143.1	33.8	-23	0	0	0	112.2
1026	C	27	Very low	29.3	Very low	110 Å²	110	135.2 Å²	135.2	74%	0.743	80%	0.803	S	S	*	*			trans	-115.2	140.5	155.8	-69.4	0	0	0	0	109.1
1027	D	31.3	Very low	29.3	Very low	140 Å²	140	136.5 Å²	136.5	75%	0.749	81%	0.812	S	S	*	*			trans	67.5	110.2	152.1	-52.4	-18.7	0	0	0	121.5
1028	D	30.2	Very low	29.4	Very low	164 Å²	164	131.7 Å²	131.7	88%	0.877	81%	0.808	S	S	*	*				62.7	119.4	127.2	-66.9	-13.7	0	0	0	122.2
1029	G	30.2	Very low	29.4	Very low	75 Å²	75	131.2 Å²	131.2	77%	0.773	81%	0.806	S	S	*	*			trans	-160.4	36.2	-179.9	0	0	0	0	0	116.1
1030	V	27.6	Very low	29.4	Very low	118 Å²	118	134.6 Å²	134.6	72%	0.715	81%	0.811	S	S	*	*			trans	42.6	113.4	154.2	-174.3	0	0	0	0	118.7
1031	F	29.1	Very low	29.7	Very low	215 Å²	215	133.7 Å²	133.7	94%	0.943	81%	0.805	S	S	*	*				-148.9	131	127.9	-104.1	-72.5	0	0	0	110.8
1032	M	30.1	Very low	29.7	Very low	169 Å²	169	130.2 Å²	130.2	83%	0.833	80%	0.8	S	S	*	*			trans	-88.2	148.1	-172.8	-74.6	-153.8	-63.7	0	0	114.2
1033	A	27.1	Very low	29.6	Very low	76 Å²	76	131.7 Å²	131.7	63%	0.628	80%	0.797	S	S	*	*			trans	-15.2	147.9	156.1	0	0	0	0	0	118.8
1034	Y	31.3	Very low	29.6	Very low	233 Å²	233	130 Å²	130	91%	0.914	79%	0.794	S	S	*	*				178.2	157.4	95.1	-98.5	-75.5	0	0	0	111.4
1035	G	30.5	Very low	29.8	Very low	77 Å²	77	129 Å²	129	79%	0.794	80%	0.8	S	S	*	*			trans	113.3	95.1	151.5	0	0	0	0	0	117
1036	S	28.4	Very low	29.5	Very low	114 Å²	114	126.2 Å²	126.2	80%	0.797	79%	0.794	S	S	*	*			trans	-90.9	170.7	168.7	49.1	0	0	0	0	113.1
1037	S	31	Very low	29.7	Very low	127 Å²	127	130.1 Å²	130.1	89%	0.888	80%	0.801	S	S	*	*			trans	93	146.8	157.4	78.3	0	0	0	0	120.5
1038	G	31.5	Very low	29.5	Very low	70 Å²	70	127.2 Å²	127.2	72%	0.722	79%	0.791	S	S	*	*			trans	102.4	75.7	175	0	0	0	0	0	114.3
1039	E	29.8	Very low	29.5	Very low	183 Å²	183	129.2 Å²	129.2	86%	0.855	79%	0.788	S	S	*	*				79.2	116.7	78.6	-74.6	-161	141.2	0	0	117.9
1040	L	28.4	Very low	29.3	Very low	158 Å²	158	135.1 Å²	135.1	83%	0.827	79%	0.789	S	S	*	*			trans	82.9	143.7	150.4	-90.7	80.2	0	0	0	123
1041	P	35.6	Very low	29.4	Very low	111 Å²	111	135.3 Å²	135.3	72%	0.721	79%	0.786	S	S	*	*			trans	-111.8	173.8	-169.6	43.7	-35.2	0	0	0	114.1
1042	C	26.7	Very low	29.2	Very low	115 Å²	115	131.8 Å²	131.8	78%	0.777	77%	0.772	S	S	*	*			trans	-165.2	129.5	147.8	-104.7	0	0	0	0	113.9
1043	C	27.4	Very low	29.3	Very low	109 Å²	109	133.4 Å²	133.4	74%	0.736	78%	0.775	S	S	*	*			trans	61.4	146.2	135.9	-57.3	0	0	0	0	120.9
1044	T	29.2	Very low	29.4	Very low	137 Å²	137	133.7 Å²	133.7	84%	0.84	79%	0.785	S	S	*	*			cis	-172.2	157.2	-9.3	20.9	0	0	0	0	109.4
1045	G	30.7	Very low	29.2	Very low	81 Å²	81	132 Å²	132	84%	0.835	78%	0.782	S	S	*	*			trans	99	127.3	165.7	0	0	0	0	0	113.2
1046	G	26.7	Very low	29.5	Very low	69 Å²	69	132.9 Å²	132.9	71%	0.711	78%	0.775	S	S	*	*			cis	111.7	113	28.4	0	0	0	0	0	107.1
1047	H	31.8	Very low	29.5	Very low	192 Å²	192	134.6 Å²	134.6	89%	0.889	78%	0.775	S	S	*	*				-162.8	155.4	79.6	-101	-108.8	0	0	0	112.2
1048	S	26	Very low	29.4	Very low	78 Å²	78	133.1 Å²	133.1	55%	0.545	77%	0.77	S	S	.	*			trans	-90.3	171.4	175	59.6	0	0	0	0	113.8
1049	Y	30.5	Very low	29.2	Very low	207 Å²	207	132.3 Å²	132.3	81%	0.812	76%	0.762	S	S	*	*			trans	161.3	106.6	135.3	-87.2	-66.8	0	0	0	107.5
1050	Y	26.5	Very low	29.2	Very low	198 Å²	198	126 Å²	126	78%	0.776	73%	0.733	S	S	*	*				72.1	131.5	70.6	-91	-66.2	0	0	0	116.8
1051	N	28.3	Very low	29.2	Very low	122 Å²	122	122.9 Å²	122.9	65%	0.652	72%	0.724	S	S	*	*			trans	74.2	146.8	158.8	-60.9	4.7	0	0	0	118.6
1052	E	26.8	Very low	28.9	Very low	141 Å²	141	125.6 Å²	125.6	66%	0.659	73%	0.732	S	S	*	*			cis	-168.5	179.8	-17	-112	172.1	147.2	0	0	108.2
1053	F	31.1	Very low	28.9	Very low	204 Å²	204	126.9 Å²	126.9	90%	0.895	73%	0.726	S	S	*	*			trans	81.9	130.9	165.6	-58.6	-81.4	0	0	0	120.7
1054	G	30	Very low	29.1	Very low	82 Å²	82	129.7 Å²	129.7	85%	0.845	73%	0.734	S	S	*	*			trans	118.7	69.2	139.3	0	0	0	0	0	120.3
1055	K	27	Very low	29	Very low	196 Å²	196	131.5 Å²	131.5	85%	0.852	74%	0.737	S	S	*	*			trans	-84.6	170.3	153.5	-100.2	-176.2	-177.7	-178.6	0	109.7
1056	P	35.4	Very low	29	Very low	97 Å²	97	136 Å²	136	63%	0.63	74%	0.737	S	S	*	*			cis	-141.3	-171.8	-11.6	33.7	-11	0	0	0	115.8
1057	N	28.4	Very low	29.1	Very low	149 Å²	149	141.5 Å²	141.5	80%	0.797	74%	0.737	S	S	*	*			trans	110.9	144.6	146.8	-64.8	-23.7	0	0	0	120.3
1058	A	30.6	Very low	29.1	Very low	96 Å²	96	141.4 Å²	141.4	79%	0.793	74%	0.739	S	S	*	*			trans	66.4	149.2	178	0	0	0	0	0	116.7
1059	G	26.2	Very low	29.3	Very low	53 Å²	53	147.5 Å²	147.5	55%	0.546	76%	0.759	S	S	.	*			cis	147.3	84.4	-15.6	0	0	0	0	0	114.3
1060	I	29.8	Very low	29.2	Very low	50 Å²	50	140.9 Å²	140.9	26%	0.256	75%	0.754	S	S	.	*			trans	-135.2	142.1	-177.1	-54.8	-166.5	0	0	0	113.1	R921 E922	R921-I1060 HydrophobicContact CB-CD1 3.83Å; R921-I1060 HydrophobicContact CB-CG2 4.35Å; E922-I1060 HydrophobicContact CG-CD1 3.69Å
1061	C	29.1	Very low	29.4	Very low	93 Å²	93	136.9 Å²	136.9	63%	0.628	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-80	154.3	-164.6	-47.8	0	0	0	0	115.9	R921	R921-C1061 PolarHBondContact NH1-O 2.04Å
1062	L	29.5	Very low	29.4	Very low	169 Å²	169	139 Å²	139	89%	0.885	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-86.7	140.4	157.5	-77.9	161.9	0	0	0	109.8
1063	E	27.1	Very low	29.6	Very low	141 Å²	141	137.3 Å²	137.3	66%	0.659	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-78.5	129.6	164.8	-78.4	141.3	-156	0	0	109.9	R921	R921-E1063 IonicContact CZ-OE1 2.64Å; R921-E1063 IonicContact NH1-OE1 3.53Å; R921-E1063 IonicContact NH2-OE1 2.63Å; R921-E1063 PolarHBondContact NH2-OE1 3.39Å
1064	N	31.4	Very low	29.4	Very low	168 Å²	168	136.7 Å²	136.7	90%	0.898	77%	0.769	S	S	*	*			trans	169.8	101.3	152	-89.3	-24.3	0	0	0	106.3
1065	L	27.2	Very low	29.5	Very low	176 Å²	176	141.3 Å²	141.3	92%	0.921	77%	0.768	S	S	*	*			trans	-126.1	63.3	-167.5	-143.3	169	0	0	0	111.1
1066	E	28.9	Very low	29.7	Very low	175 Å²	175	138.3 Å²	138.3	82%	0.818	76%	0.762	S	S	*	*			trans	-135	151.2	164.9	-87.6	173.4	-166.3	0	0	108.3
1067	Y	30.3	Very low	29.5	Very low	185 Å²	185	144.4 Å²	144.4	73%	0.725	77%	0.774	S	S	*	*			trans	68.2	96.8	-163.7	-68.8	-94.8	0	0	0	116.3
1068	M	31.4	Very low	29.6	Very low	189 Å²	189	145.4 Å²	145.4	93%	0.931	77%	0.773	S	S	*	*				167.9	81.2	122.8	-84.5	-88.3	-77.5	0	0	110.5
1069	Q	30	Very low	29.6	Very low	207 Å²	207	148 Å²	148	97%	0.967	77%	0.774	S	S	*	*			trans	-108.5	113.5	158.9	-73.9	-168.8	-1.1	0	0	108.8
1070	G	28.6	Very low	29.8	Very low	68 Å²	68	151.4 Å²	151.4	70%	0.701	79%	0.788	S	S	*	*			trans	-175.1	69.5	-170.6	0	0	0	0	0	113.4
1071	S	29.7	Very low	29.7	Very low	113 Å²	113	158 Å²	158	79%	0.79	82%	0.82	S	S	*	*			trans	42.2	118.6	156.2	60.9	0	0	0	0	119.7
1072	L	29.4	Very low	30	Very low	168 Å²	168	159.3 Å²	159.3	88%	0.88	83%	0.827	S	S	*	*				-169.2	124.4	123.6	-101.1	156.5	0	0	0	112
1073	S	30.9	Very low	30.2	Very low	105 Å²	105	159.8 Å²	159.8	73%	0.734	82%	0.822	S	S	*	*			trans	30.9	119.5	159.8	57	0	0	0	0	121.5
1074	E	26.6	Very low	30.6	Very low	190 Å²	190	159.4 Å²	159.4	89%	0.888	83%	0.825	S	S	*	*			trans	-64.1	127.9	153.3	-64.7	169.5	108.2	0	0	111.3
1075	Q	31.6	Very low	30.6	Very low	179 Å²	179	159.4 Å²	159.4	84%	0.836	82%	0.824	S	S	*	*			trans	-173.3	142.1	137.1	-103.8	158.8	17	0	0	110.8
1076	D	31.8	Very low	30.8	Very low	134 Å²	134	159.8 Å²	159.8	72%	0.717	82%	0.821	S	S	*	*			trans	58.7	99.7	165.1	-55.2	-20.9	0	0	0	119.8
1077	Y	30.3	Very low	31	Very low	224 Å²	224	160.1 Å²	160.1	88%	0.878	83%	0.825	S	S	*	*				176.3	125.4	96.1	-107.1	-86	0	0	0	113
1078	H	30.5	Very low	31.1	Very low	170 Å²	170	155.3 Å²	155.3	79%	0.787	82%	0.818	S	S	*	*			trans	-99.7	168.6	166.7	-103.9	-66.7	0	0	0	111.3
1079	N	31.9	Very low	31	Very low	151 Å²	151	153.2 Å²	153.2	81%	0.807	81%	0.811	S	S	*	*			trans	88.4	137.9	175.3	-45.2	-53.9	0	0	0	114.3
1080	C	29.7	Very low	31.1	Very low	125 Å²	125	150.9 Å²	150.9	85%	0.845	80%	0.803	S	S	*	*			cis	-141.5	146.5	26	-60.6	0	0	0	0	114.8
1081	M	27.1	Very low	31.2	Very low	188 Å²	188	153.2 Å²	153.2	93%	0.926	80%	0.804	S	S	*	*			trans	-143.2	135.9	154.9	-109.1	-162.8	179.5	0	0	109.7
1082	P	35.7	Very low	31.4	Very low	120 Å²	120	155.9 Å²	155.9	78%	0.779	80%	0.804	S	S	*	*			trans	-109.6	121.9	163.3	34.5	-23.9	0	0	0	110.5
1083	K	34.8	Very low	31.5	Very low	180 Å²	180	153.3 Å²	153.3	78%	0.783	79%	0.791	S	S	*	*				88.7	112.2	62.6	-91.5	-165	172.3	-179.3	0	116.5
1084	N	35.3	Very low	31.5	Very low	133 Å²	133	155.9 Å²	155.9	71%	0.711	79%	0.791	S	S	*	*			trans	73.6	148.4	148.3	-53.3	-4.7	0	0	0	116.9
1085	L	31.5	Very low	31.7	Very low	168 Å²	168	152.3 Å²	152.3	88%	0.88	78%	0.782	S	S	*	*			cis	-135	160.9	18.4	-83.8	86.4	0	0	0	113.8
1086	Q	30.6	Very low	31.7	Very low	184 Å²	184	150.1 Å²	150.1	86%	0.86	78%	0.781	S	S	*	*			trans	-90.4	156.8	166.2	-56.4	168.6	-65	0	0	112
1087	M	33.1	Very low	31.6	Very low	182 Å²	182	153.8 Å²	153.8	90%	0.897	81%	0.808	S	S	*	*				-161.7	147.2	125.6	-155.7	62	79.1	0	0	112.4
1088	S	32.6	Very low	31.7	Very low	84 Å²	84	150.3 Å²	150.3	59%	0.587	81%	0.805	S	S	*	*			trans	-84	165	-160	54.3	0	0	0	0	120.2
1089	D	28.9	Very low	31.7	Very low	145 Å²	145	149.3 Å²	149.3	78%	0.775	81%	0.805	S	S	*	*			trans	90.9	150.8	137.4	-68.1	-19.8	0	0	0	124.1
1090	I	32	Very low	31.7	Very low	157 Å²	157	149.2 Å²	149.2	81%	0.805	81%	0.805	S	S	*	*			trans	87.1	92	170.2	-48.9	169.8	0	0	0	114.4
1091	V	31.5	Very low	31.8	Very low	118 Å²	118	150.6 Å²	150.6	72%	0.715	80%	0.803	S	S	*	*				67	100.5	65.1	-179.6	0	0	0	0	114.4
1092	Q	33.6	Very low	32.1	Very low	169 Å²	169	148.3 Å²	148.3	79%	0.79	80%	0.795	S	S	*	*				167.3	142.8	111.5	-116.1	162.6	8.8	0	0	114.7
1093	N	32.6	Very low	31.9	Very low	114 Å²	114	150.1 Å²	150.1	61%	0.61	80%	0.796	S	S	*	*			trans	60.7	119.5	150.7	-75.7	35.4	0	0	0	120.3
1094	E	30.9	Very low	31.7	Very low	158 Å²	158	148 Å²	148	74%	0.738	80%	0.797	S	S	*	*				76.6	139	95.2	-70.4	179.4	157.8	0	0	114.1
1095	T	30.8	Very low	31.4	Very low	115 Å²	115	149.2 Å²	149.2	71%	0.706	80%	0.804	S	S	*	*			cis	-167.7	154.5	-10.5	15.2	0	0	0	0	108.3
1096	V	30.3	Very low	31.4	Very low	133 Å²	133	147.6 Å²	147.6	81%	0.806	80%	0.798	S	S	*	*			trans	62.2	111.2	152.7	177	0	0	0	0	118.1
1097	V	29.8	Very low	31.4	Very low	212 Å²	212	144.3 Å²	144.3	100%	1.285	79%	0.792	S	S	*	*				-144.6	0	82.5	166.9	0	0	0	0	108.7

Retrieved 1,097 of 1,097 residues in 818.2 ms (Link to these results)

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